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

Systemtic Name: methyl 4-(3,4-dimethoxyphenyl)-3-[(phenylmethyl)amino]butanoate Openeye Name: methyl 3-(benzylamino)-4-(3,4-dimethoxyphenyl)butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-3-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 3-(benzylamino)-4-(3,4-dimethoxyphenyl)butanoate Traditional Name: 3-(benzylamino)-4-(3,4-dimethoxyphenyl)butyric acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-23-18-10-9-16(12-19(18)24-2)11-17(13-20(22)25-3)21-14-15-7-5-4-6-8-15/h4-10,12,17,21H,11,13-14H2,1-3H3