4-[2-(3-cyano-6-phenylmethoxy-indol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid

Systemtic Name: 4-[2-(3-cyano-6-phenylmethoxy-indol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid Openeye Name: 4-[2-(6-benzyloxy-3-cyano-indol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid CAS Name: 4-[2-(3-cyano-6-phenylmethoxy-1-indolyl)-2-(methoxymethoxy)ethyl]benzoic acid IUPAC Name: 4-[2-(3-cyano-6-phenylmethoxyindol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid Traditional Name: 4-[2-(6-benzoxy-3-cyano-indol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(CC1=CC=C(C=C1)C(=O)O)N2C=C(C3=C2C=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

COCOC(CC1=CC=C(C=C1)C(=O)O)N2C=C(C3=C2C=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H24N2O5/c1-32-18-34-26(13-19-7-9-21(10-8-19)27(30)31)29-16-22(15-28)24-12-11-23(14-25(24)29)33-17-20-5-3-2-4-6-20/h2-12,14,16,26H,13,17-18H2,1H3,(H,30,31)