(3S)-3-[2-(3,4-dimethoxyphenyl)ethanoylamino]-3-(4-propoxyphenyl)propanoate

Systemtic Name: (3S)-3-[2-(3,4-dimethoxyphenyl)ethanoylamino]-3-(4-propoxyphenyl)propanoate Openeye Name: (3S)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(4-propoxyphenyl)propanoate CAS Name: (3S)-3-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-3-(4-propoxyphenyl)propanoate IUPAC Name: (3S)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(4-propoxyphenyl)propanoate Traditional Name: (3S)-3-(homoveratroylamino)-3-(4-propoxyphenyl)propionate Formula: C22H26NO6- MolecularWeight: 400.44494

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H27NO6/c1-4-11-29-17-8-6-16(7-9-17)18(14-22(25)26)23-21(24)13-15-5-10-19(27-2)20(12-15)28-3/h5-10,12,18H,4,11,13-14H2,1-3H3,(H,23,24)(H,25,26)/p-1/t18-/m0/s1