4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanoic acid

Systemtic Name: 4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanoic acid Openeye Name: 4-[1-(o-tolylmethyl)indol-3-yl]butanoic acid CAS Name: 4-[1-[(2-methylphenyl)methyl]-3-indolyl]butanoic acid IUPAC Name: 4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanoic acid Traditional Name: 4-[1-(2-methylbenzyl)indol-3-yl]butyric acid Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)CCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)CCCC(=O)O

InChI

InChI=1S/C20H21NO2/c1-15-7-2-3-8-16(15)13-21-14-17(9-6-12-20(22)23)18-10-4-5-11-19(18)21/h2-5,7-8,10-11,14H,6,9,12-13H2,1H3,(H,22,23)