4-(3-cyano-6-phenylmethoxy-indol-1-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(3-cyano-6-phenylmethoxy-indol-1-yl)-2-oxidanyl-benzoic acid Openeye Name: 4-(6-benzyloxy-3-cyano-indol-1-yl)-2-hydroxy-benzoic acid CAS Name: 4-(3-cyano-6-phenylmethoxy-1-indolyl)-2-hydroxybenzoic acid IUPAC Name: 4-(3-cyano-6-phenylmethoxyindol-1-yl)-2-hydroxybenzoic acid Traditional Name: 4-(6-benzoxy-3-cyano-indol-1-yl)-2-hydroxy-benzoic acid Formula: C23H16N2O4 MolecularWeight: 384.38414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3C4=CC(=C(C=C4)C(=O)O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3C4=CC(=C(C=C4)C(=O)O)O)C#N

InChI

InChI=1S/C23H16N2O4/c24-12-16-13-25(17-6-8-20(23(27)28)22(26)10-17)21-11-18(7-9-19(16)21)29-14-15-4-2-1-3-5-15/h1-11,13,26H,14H2,(H,27,28)