(2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(homoveratrylcarbamoylamino)-3-phenyl-propionate Formula: C20H23N2O5- MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])OC

InChI

InChI=1S/C20H24N2O5/c1-26-17-9-8-15(13-18(17)27-2)10-11-21-20(25)22-16(19(23)24)12-14-6-4-3-5-7-14/h3-9,13,16H,10-12H2,1-2H3,(H,23,24)(H2,21,22,25)/p-1/t16-/m0/s1