3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanoic acid Openeye Name: 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]propanoic acid IUPAC Name: 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanoic acid Traditional Name: 3-[1-(2,5-dimethylbenzyl)indol-3-yl]propionic acid Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C20H21NO2/c1-14-7-8-15(2)17(11-14)13-21-12-16(9-10-20(22)23)18-5-3-4-6-19(18)21/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)