5-ethoxy-5-oxidanylidene-4-[[4-[(phenylmethyl)amino]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-ethoxy-5-oxidanylidene-4-[[4-[(phenylmethyl)amino]phenyl]carbonylamino]pentanoic acid Openeye Name: 4-[[4-(benzylamino)benzoyl]amino]-5-ethoxy-5-oxo-pentanoic acid CAS Name: 5-ethoxy-5-oxo-4-[[oxo-[4-[(phenylmethyl)amino]phenyl]methyl]amino]pentanoic acid IUPAC Name: 4-[[4-(benzylamino)benzoyl]amino]-5-ethoxy-5-oxopentanoic acid Traditional Name: 4-[[4-(benzylamino)benzoyl]amino]-5-ethoxy-5-keto-valeric acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-2-28-21(27)18(12-13-19(24)25)23-20(26)16-8-10-17(11-9-16)22-14-15-6-4-3-5-7-15/h3-11,18,22H,2,12-14H2,1H3,(H,23,26)(H,24,25)