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

Systemtic Name: 4,4-dimethoxy-2-[(phenylmethyl)-prop-2-enoyl-amino]butanoate Openeye Name: 2-[benzyl(prop-2-enoyl)amino]-4,4-dimethoxy-butanoate CAS Name: 4,4-dimethoxy-2-[1-oxoprop-2-enyl-(phenylmethyl)amino]butanoate IUPAC Name: 2-[benzyl(prop-2-enoyl)amino]-4,4-dimethoxybutanoate Traditional Name: 2-[acryloyl(benzyl)amino]-4,4-dimethoxy-butyrate Formula: C16H20NO5- MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C=C)OC

Isomeric SMILES

COC(CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C=C)OC

InChI

InChI=1S/C16H21NO5/c1-4-14(18)17(11-12-8-6-5-7-9-12)13(16(19)20)10-15(21-2)22-3/h4-9,13,15H,1,10-11H2,2-3H3,(H,19,20)/p-1