methyl 5-(3,4-dimethoxyphenyl)-3-[(phenylmethyl)amino]pentanoate

Systemtic Name: methyl 5-(3,4-dimethoxyphenyl)-3-[(phenylmethyl)amino]pentanoate Openeye Name: methyl 3-(benzylamino)-5-(3,4-dimethoxyphenyl)pentanoate CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(phenylmethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl 3-(benzylamino)-5-(3,4-dimethoxyphenyl)pentanoate Traditional Name: 3-(benzylamino)-5-(3,4-dimethoxyphenyl)valeric acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(CC(=O)OC)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(CC(=O)OC)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H27NO4/c1-24-19-12-10-16(13-20(19)25-2)9-11-18(14-21(23)26-3)22-15-17-7-5-4-6-8-17/h4-8,10,12-13,18,22H,9,11,14-15H2,1-3H3