(phenylmethyl) 4-[(E)-3-[(4-ethoxy-4-oxidanylidene-butyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (phenylmethyl) 4-[(E)-3-[(4-ethoxy-4-oxidanylidene-butyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: benzyl 4-[(E)-3-[allyl-(4-ethoxy-4-oxo-butyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(4-ethoxy-4-oxobutyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-3-[(4-ethoxy-4-oxobutyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[allyl-(4-ethoxy-4-keto-butyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid benzyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(CC=C)C(=O)C(=CC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CCCN(CC=C)C(=O)/C(=C/C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)/C

InChI

InChI=1S/C27H31NO5/c1-4-17-28(18-9-12-25(29)32-5-2)26(30)21(3)19-22-13-15-24(16-14-22)27(31)33-20-23-10-7-6-8-11-23/h4,6-8,10-11,13-16,19H,1,5,9,12,17-18,20H2,2-3H3/b21-19+