methyl (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)but-2-enoate

Systemtic Name: methyl (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)but-2-enoate Openeye Name: methyl (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)but-2-enoate CAS Name: (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)but-2-enoate Traditional Name: (E)-4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)but-2-enoic acid methyl ester Formula: C43H32N4O2 MolecularWeight: 636.73978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)C7=CC=CC=C7)N3)C8=CC=CC=C8

Isomeric SMILES

COC(=O)/C=C/CC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)C7=CC=CC=C7)N3)C8=CC=CC=C8

InChI

InChI=1S/C43H32N4O2/c1-49-40(48)19-11-18-31-32-20-22-34(44-32)41(28-12-5-2-6-13-28)36-24-26-38(46-36)43(30-16-9-4-10-17-30)39-27-25-37(47-39)42(29-14-7-3-8-15-29)35-23-21-33(31)45-35/h2-17,19-27,46-47H,18H2,1H3/b19-11+,32-31?,33-31?,41-34?,41-36?,42-35?,42-37?,43-38?,43-39?