(phenylmethyl) 2-[4-(2-hydroxyethyl)-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-hydroxyethyl)-7-oxidanylidene-1-phenyl-3,6-dihydro-2H-azepin-6-yl]ethanoate Openeye Name: benzyl 2-[4-(2-hydroxyethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetate CAS Name: 2-[4-(2-hydroxyethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-hydroxyethyl)-7-oxo-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetate Traditional Name: 2-[4-(2-hydroxyethyl)-7-keto-1-phenyl-3,6-dihydro-2H-azepin-6-yl]acetic acid benzyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(C=C1CCO)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C(C=C1CCO)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO4/c25-14-12-18-11-13-24(21-9-5-2-6-10-21)23(27)20(15-18)16-22(26)28-17-19-7-3-1-4-8-19/h1-10,15,20,25H,11-14,16-17H2