2-[2-(3,4-diethoxyphenyl)ethanoyl]-3-[(phenylmethyl)amino]cyclohex-2-en-1-one

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)ethanoyl]-3-[(phenylmethyl)amino]cyclohex-2-en-1-one Openeye Name: 3-(benzylamino)-2-[2-(3,4-diethoxyphenyl)acetyl]cyclohex-2-en-1-one CAS Name: 2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-3-[(phenylmethyl)amino]-1-cyclohex-2-enone IUPAC Name: 3-(benzylamino)-2-[2-(3,4-diethoxyphenyl)acetyl]cyclohex-2-en-1-one Traditional Name: 3-(benzylamino)-2-[2-(3,4-diethoxyphenyl)acetyl]cyclohex-2-en-1-one Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CCCC2=O)NCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CCCC2=O)NCC3=CC=CC=C3)OCC

InChI

InChI=1S/C25H29NO4/c1-3-29-23-14-13-19(16-24(23)30-4-2)15-22(28)25-20(11-8-12-21(25)27)26-17-18-9-6-5-7-10-18/h5-7,9-10,13-14,16,26H,3-4,8,11-12,15,17H2,1-2H3