2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-(m-tolylcarbamoylamino)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(m-tolylcarbamoylamino)azepan-1-yl]acetic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCCN(C2=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCCN(C2=O)CC(=O)O

InChI

InChI=1S/C16H21N3O4/c1-11-5-4-6-12(9-11)17-16(23)18-13-7-2-3-8-19(15(13)22)10-14(20)21/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,20,21)(H2,17,18,23)