3-[18-(2-carboxyethyl)-8-(1-methoxyethyl)-3,7,12,17-tetramethyl-13-prop-1-en-2-yl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-8-(1-methoxyethyl)-3,7,12,17-tetramethyl-13-prop-1-en-2-yl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-13-isopropenyl-8-(1-methoxyethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-8-(1-methoxyethyl)-3,7,12,17-tetramethyl-13-(1-methylethenyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-8-(1-methoxyethyl)-3,7,12,17-tetramethyl-13-prop-1-en-2-yl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-13-isopropenyl-8-(1-methoxyethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphin-2-yl]propionic acid Formula: C36H42N4O5 MolecularWeight: 610.74248

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CCC(=O)O)N4)C(=C)C)C)C(C)OC)C)CCC(=O)O

Isomeric SMILES

CC1C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CCC(=O)O)N4)C(=C)C)C)C(C)OC)C)CCC(=O)O

InChI

InChI=1S/C36H42N4O5/c1-17(2)35-20(5)28-15-32-36(22(7)45-8)21(6)27(40-32)13-25-18(3)23(9-11-33(41)42)29(37-25)16-30-24(10-12-34(43)44)19(4)26(38-30)14-31(35)39-28/h13-16,18,22-23,39-40H,1,9-12H2,2-8H3,(H,41,42)(H,43,44)