1-[(3-cyanophenyl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-1-(3-cyanobenzyl)indole-2-carboxylic acid Formula: C24H18N2O3 MolecularWeight: 382.41132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H18N2O3/c25-14-18-7-4-8-19(11-18)15-26-22-10-9-21(12-20(22)13-23(26)24(27)28)29-16-17-5-2-1-3-6-17/h1-13H,15-16H2,(H,27,28)