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

Systemtic Name: (phenylmethyl) 4-[(E)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: benzyl 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[benzyl(2-hydroxyethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid benzyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=O)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)/C(=O)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C27H27NO4/c1-21(26(30)28(16-17-29)19-23-8-4-2-5-9-23)18-22-12-14-25(15-13-22)27(31)32-20-24-10-6-3-7-11-24/h2-15,18,29H,16-17,19-20H2,1H3/b21-18+