2-[1-oxidanylidene-3-phenyl-8-phenylmethoxy-9-(phenylmethyl)pyrido[3,4-b]indol-2-yl]ethanoic acid

Systemtic Name: 2-[1-oxidanylidene-3-phenyl-8-phenylmethoxy-9-(phenylmethyl)pyrido[3,4-b]indol-2-yl]ethanoic acid Openeye Name: 2-(9-benzyl-8-benzyloxy-1-oxo-3-phenyl-pyrido[3,4-b]indol-2-yl)acetic acid CAS Name: 2-[1-oxo-3-phenyl-8-phenylmethoxy-9-(phenylmethyl)-2-pyrido[3,4-b]indolyl]acetic acid IUPAC Name: 2-(9-benzyl-1-oxo-3-phenyl-8-phenylmethoxypyrido[3,4-b]indol-2-yl)acetic acid Traditional Name: 2-(8-benzoxy-9-benzyl-1-keto-3-phenyl-$b-carbolin-2-yl)acetic acid Formula: C33H26N2O4 MolecularWeight: 514.57054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC=C3OCC4=CC=CC=C4)C5=C2C(=O)N(C(=C5)C6=CC=CC=C6)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC=C3OCC4=CC=CC=C4)C5=C2C(=O)N(C(=C5)C6=CC=CC=C6)CC(=O)O

InChI

InChI=1S/C33H26N2O4/c36-30(37)21-34-28(25-15-8-3-9-16-25)19-27-26-17-10-18-29(39-22-24-13-6-2-7-14-24)31(26)35(32(27)33(34)38)20-23-11-4-1-5-12-23/h1-19H,20-22H2,(H,36,37)