2-[2-cyclopropyl-5-methoxy-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-cyclopropyl-5-methoxy-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-(1-benzyl-2-cyclopropyl-5-methoxy-indol-3-yl)acetic acid CAS Name: 2-[2-cyclopropyl-5-methoxy-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-2-cyclopropyl-5-methoxyindol-3-yl)acetic acid Traditional Name: 2-(1-benzyl-2-cyclopropyl-5-methoxy-indol-3-yl)acetic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c1-25-16-9-10-19-17(11-16)18(12-20(23)24)21(15-7-8-15)22(19)13-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,23,24)