2-[6-chloranyl-5-methoxy-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-5-methoxy-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-(1-benzyl-6-chloro-5-methoxy-indol-3-yl)acetic acid CAS Name: 2-[6-chloro-5-methoxy-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-6-chloro-5-methoxyindol-3-yl)acetic acid Traditional Name: 2-(1-benzyl-6-chloro-5-methoxy-indol-3-yl)acetic acid Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN2CC3=CC=CC=C3)CC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN2CC3=CC=CC=C3)CC(=O)O)Cl

InChI

InChI=1S/C18H16ClNO3/c1-23-17-8-14-13(7-18(21)22)11-20(16(14)9-15(17)19)10-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,21,22)