2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-(m-tolylcarbamoylamino)-2-oxo-7-phenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-7-phenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-7-phenylazepan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(m-tolylcarbamoylamino)-7-phenyl-azepan-1-yl]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-15-7-5-10-17(13-15)23-22(29)24-18-11-6-12-19(16-8-3-2-4-9-16)25(21(18)28)14-20(26)27/h2-5,7-10,13,18-19H,6,11-12,14H2,1H3,(H,26,27)(H2,23,24,29)