methyl (E,2S)-6-oxidanylidene-2-[(phenylmethyl)-prop-2-enoyl-amino]hept-4-enoate

Systemtic Name: methyl (E,2S)-6-oxidanylidene-2-[(phenylmethyl)-prop-2-enoyl-amino]hept-4-enoate Openeye Name: methyl (E,2S)-2-[benzyl(prop-2-enoyl)amino]-6-oxo-hept-4-enoate CAS Name: (E,2S)-6-oxo-2-[1-oxoprop-2-enyl-(phenylmethyl)amino]-4-heptenoic acid methyl ester IUPAC Name: methyl (E,2S)-2-[benzyl(prop-2-enoyl)amino]-6-oxohept-4-enoate Traditional Name: (E,2S)-2-[acryloyl(benzyl)amino]-6-keto-hept-4-enoic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CCC(C(=O)OC)N(CC1=CC=CC=C1)C(=O)C=C

Isomeric SMILES

CC(=O)/C=C/C[C@@H](C(=O)OC)N(CC1=CC=CC=C1)C(=O)C=C

InChI

InChI=1S/C18H21NO4/c1-4-17(21)19(13-15-10-6-5-7-11-15)16(18(22)23-3)12-8-9-14(2)20/h4-11,16H,1,12-13H2,2-3H3/b9-8+/t16-/m0/s1