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

Systemtic Name: 3-[18-(2-carboxyethyl)-13-(1-hydroxyethyl)-3,7,12,17-tetramethyl-8-prop-1-en-2-yl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-13-(1-hydroxyethyl)-8-isopropenyl-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-13-(1-hydroxyethyl)-3,7,12,17-tetramethyl-8-(1-methylethenyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-13-(1-hydroxyethyl)-3,7,12,17-tetramethyl-8-prop-1-en-2-yl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-13-(1-hydroxyethyl)-8-isopropenyl-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphin-2-yl]propionic acid Formula: C35H40N4O5 MolecularWeight: 596.7159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C)C(=C)C)C)C(C)O)C(=C3CCC(=O)O)C)CCC(=O)O

Isomeric SMILES

CC1C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C)C(=C)C)C)C(C)O)C(=C3CCC(=O)O)C)CCC(=O)O

InChI

InChI=1S/C35H40N4O5/c1-16(2)34-19(5)26-12-24-17(3)22(8-10-32(41)42)28(36-24)15-29-23(9-11-33(43)44)18(4)25(37-29)13-31-35(21(7)40)20(6)27(39-31)14-30(34)38-26/h12-15,17,21-22,38-40H,1,8-11H2,2-7H3,(H,41,42)(H,43,44)