2-methoxy-5-[(phenylmethyl)amino]-2-(3,3,4-trimethoxy-4-phenyl-cyclohexa-1,5-dien-1-yl)pentanenitrile

Systemtic Name: 2-methoxy-5-[(phenylmethyl)amino]-2-(3,3,4-trimethoxy-4-phenyl-cyclohexa-1,5-dien-1-yl)pentanenitrile Openeye Name: 5-(benzylamino)-2-methoxy-2-(3,3,4-trimethoxy-4-phenyl-cyclohexa-1,5-dien-1-yl)pentanenitrile CAS Name: 2-methoxy-5-[(phenylmethyl)amino]-2-(3,3,4-trimethoxy-4-phenyl-1-cyclohexa-1,5-dienyl)pentanenitrile IUPAC Name: 5-(benzylamino)-2-methoxy-2-(3,3,4-trimethoxy-4-phenylcyclohexa-1,5-dien-1-yl)pentanenitrile Traditional Name: 5-(benzylamino)-2-methoxy-2-(3,3,4-trimethoxy-4-phenyl-cyclohexa-1,5-dien-1-yl)valeronitrile Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CC(=CC1(OC)OC)C(CCCNCC2=CC=CC=C2)(C#N)OC)C3=CC=CC=C3

Isomeric SMILES

COC1(C=CC(=CC1(OC)OC)C(CCCNCC2=CC=CC=C2)(C#N)OC)C3=CC=CC=C3

InChI

InChI=1S/C28H34N2O4/c1-31-26(22-29,17-11-19-30-21-23-12-7-5-8-13-23)25-16-18-27(32-2,24-14-9-6-10-15-24)28(20-25,33-3)34-4/h5-10,12-16,18,20,30H,11,17,19,21H2,1-4H3