3-[1-(4-methylphenyl)azepin-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)azepin-2-yl]propanoic acid Openeye Name: 3-[1-(p-tolyl)azepin-2-yl]propanoic acid CAS Name: 3-[1-(4-methylphenyl)-2-azepinyl]propanoic acid IUPAC Name: 3-[1-(4-methylphenyl)azepin-2-yl]propanoic acid Traditional Name: 3-[1-(p-tolyl)azepin-2-yl]propionic acid Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=CC=CC=C2CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C16H17NO2/c1-13-6-8-15(9-7-13)17-12-4-2-3-5-14(17)10-11-16(18)19/h2-9,12H,10-11H2,1H3,(H,18,19)