(4E)-4-[2-(4-methoxyphenyl)-1-[(phenylmethyl)amino]ethylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[2-(4-methoxyphenyl)-1-[(phenylmethyl)amino]ethylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[1-(benzylamino)-2-(4-methoxyphenyl)ethylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-3-hydroxy-4-[2-(4-methoxyphenyl)-1-[(phenylmethyl)amino]ethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[1-(benzylamino)-2-(4-methoxyphenyl)ethylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[1-(benzylamino)-2-(4-methoxyphenyl)ethylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=C2C=CC(=O)C=C2O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C/C(=C\2/C=CC(=O)C=C2O)/NCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3/c1-26-19-10-7-16(8-11-19)13-21(20-12-9-18(24)14-22(20)25)23-15-17-5-3-2-4-6-17/h2-12,14,23,25H,13,15H2,1H3/b21-20+