4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-(N-(2-methoxy-1-methyl-2-oxo-ethyl)anilino)-4-oxo-butanoic acid CAS Name: 4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-4-oxo-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-4-oxobutanoic acid Traditional Name: 3-(benzylamino)-4-keto-4-(N-(2-keto-2-methoxy-1-methyl-ethyl)anilino)butyric acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NCC2=CC=CC=C2

InChI

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