4-(3,3-diethoxypropylamino)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 4-(3,3-diethoxypropylamino)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: 3-(benzyloxycarbonylamino)-4-(3,3-diethoxypropylamino)-4-oxo-butanoate CAS Name: 4-(3,3-diethoxypropylamino)-4-oxo-3-(phenylmethoxycarbonylamino)butanoate IUPAC Name: 4-(3,3-diethoxypropylamino)-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 3-(benzyloxycarbonylamino)-4-(3,3-diethoxypropylamino)-4-keto-butyrate Formula: C19H27N2O7- MolecularWeight: 395.42688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCNC(=O)C(CC(=O)[O-])NC(=O)OCC1=CC=CC=C1)OCC

Isomeric SMILES

CCOC(CCNC(=O)C(CC(=O)[O-])NC(=O)OCC1=CC=CC=C1)OCC

InChI

InChI=1S/C19H28N2O7/c1-3-26-17(27-4-2)10-11-20-18(24)15(12-16(22)23)21-19(25)28-13-14-8-6-5-7-9-14/h5-9,15,17H,3-4,10-13H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/p-1