methyl (E)-3-[15-(3-methoxy-3-oxidanylidene-prop-1-enyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[15-(3-methoxy-3-oxidanylidene-prop-1-enyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]prop-2-enoate Openeye Name: methyl (E)-3-[15-(3-methoxy-3-oxo-prop-1-enyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]prop-2-enoate CAS Name: (E)-3-[15-(3-methoxy-3-oxoprop-1-enyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[15-(3-methoxy-3-oxoprop-1-enyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]prop-2-enoate Traditional Name: (E)-3-[15-(3-keto-3-methoxy-prop-1-enyl)-10,20-diphenyl-21,22-dihydroporphin-5-yl]acrylic acid methyl ester Formula: C40H30N4O4 MolecularWeight: 630.6906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)C=CC(=O)OC)C=C3)C7=CC=CC=C7)N2

Isomeric SMILES

COC(=O)/C=C/C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)C=CC(=O)OC)C=C3)C7=CC=CC=C7)N2

InChI

InChI=1S/C40H30N4O4/c1-47-37(45)23-13-27-29-15-19-33(41-29)39(25-9-5-3-6-10-25)35-21-17-31(43-35)28(14-24-38(46)48-2)32-18-22-36(44-32)40(26-11-7-4-8-12-26)34-20-16-30(27)42-34/h3-24,41-42H,1-2H3/b23-13+,24-14?,29-27?,30-27?,31-28?,32-28?,39-33?,39-35?,40-34?,40-36?