4,4-dimethoxy-2-[(phenylmethyl)amino]butanoate

Systemtic Name: 4,4-dimethoxy-2-[(phenylmethyl)amino]butanoate Openeye Name: 2-(benzylamino)-4,4-dimethoxy-butanoate CAS Name: 4,4-dimethoxy-2-[(phenylmethyl)amino]butanoate IUPAC Name: 2-(benzylamino)-4,4-dimethoxybutanoate Traditional Name: 2-(benzylamino)-4,4-dimethoxy-butyrate Formula: C13H18NO4- MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(C(=O)[O-])NCC1=CC=CC=C1)OC

Isomeric SMILES

COC(CC(C(=O)[O-])NCC1=CC=CC=C1)OC

InChI

InChI=1S/C13H19NO4/c1-17-12(18-2)8-11(13(15)16)14-9-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3,(H,15,16)/p-1