[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-phenethylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-phenethylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C28H26N2O4/c1-33-18-17-30-27(31)24(20-29)19-22-12-15-25(16-13-22)34-28(32)26-10-6-5-9-23(26)14-11-21-7-3-2-4-8-21/h2-10,12-13,15-16,19H,11,14,17-18H2,1H3,(H,30,31)/b24-19+