3-[2-azanyl-5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[2-azanyl-5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]propanoic acid Openeye Name: 3-[2-amino-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]phenyl]propanoic acid CAS Name: 3-[2-amino-5-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]propanoic acid IUPAC Name: 3-[2-amino-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]phenyl]propanoic acid Traditional Name: 3-[2-amino-5-(4-veratroylpiperazino)phenyl]propionic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)N)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)N)CCC(=O)O)OC

InChI

InChI=1S/C22H27N3O5/c1-29-19-7-3-16(14-20(19)30-2)22(28)25-11-9-24(10-12-25)17-5-6-18(23)15(13-17)4-8-21(26)27/h3,5-7,13-14H,4,8-12,23H2,1-2H3,(H,26,27)