2-[3-[(4-chloranyl-3-methoxy-phenyl)carbamoylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-chloranyl-3-methoxy-phenyl)carbamoylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-chloro-3-methoxy-phenyl)carbamoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[(4-chloro-3-methoxyanilino)-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[(4-chloro-3-methoxyphenyl)carbamoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[(4-chloro-3-methoxy-phenyl)carbamoylamino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O)Cl

InChI

InChI=1S/C20H20ClN3O5/c1-29-17-10-13(7-8-14(17)21)22-20(28)23-15-9-6-12-4-2-3-5-16(12)24(19(15)27)11-18(25)26/h2-5,7-8,10,15H,6,9,11H2,1H3,(H,25,26)(H2,22,23,28)