2-[7-(2-carboxycyclopropyl)-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[7-(2-carboxycyclopropyl)-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[7-(2-carboxycyclopropyl)-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2-yl]cyclopropanecarboxylic acid CAS Name: 2-[7-(2-carboxycyclopropyl)-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[7-(2-carboxycyclopropyl)-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-[7-(2-carboxycyclopropyl)-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphin-2-yl]cyclopropanecarboxylic acid Formula: C38H38N4O8 MolecularWeight: 678.73032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C6CC6C(=O)O)C)C7CC7C(=O)O

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C6CC6C(=O)O)C)C7CC7C(=O)O

InChI

InChI=1S/C38H38N4O8/c1-15-19(5-7-33(43)44)29-14-30-20(6-8-34(45)46)16(2)26(40-30)12-31-36(22-10-24(22)38(49)50)18(4)28(42-31)13-32-35(21-9-23(21)37(47)48)17(3)27(41-32)11-25(15)39-29/h11-14,21-24,41-42H,5-10H2,1-4H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)