ethyl (E)-7-azanyl-7-oxidanylidene-4-[[(E)-3-phenylprop-2-enoyl]amino]hept-2-enoate

Systemtic Name: ethyl (E)-7-azanyl-7-oxidanylidene-4-[[(E)-3-phenylprop-2-enoyl]amino]hept-2-enoate Openeye Name: ethyl (E)-7-amino-7-oxo-4-[[(E)-3-phenylprop-2-enoyl]amino]hept-2-enoate CAS Name: (E)-7-amino-7-oxo-4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-amino-7-oxo-4-[[(E)-3-phenylprop-2-enoyl]amino]hept-2-enoate Traditional Name: (E)-7-amino-7-keto-4-[[(E)-3-phenylacryloyl]amino]hept-2-enoic acid ethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/C(CCC(=O)N)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C18H22N2O4/c1-2-24-18(23)13-10-15(9-11-16(19)21)20-17(22)12-8-14-6-4-3-5-7-14/h3-8,10,12-13,15H,2,9,11H2,1H3,(H2,19,21)(H,20,22)/b12-8+,13-10+