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

Systemtic Name: 3-[2-azanyl-5-[2-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]propanoic acid Openeye Name: 3-[2-amino-5-[2-(3,4-dimethoxybenzoyl)piperazin-1-yl]phenyl]propanoic acid CAS Name: 3-[2-amino-5-[2-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]propanoic acid IUPAC Name: 3-[2-amino-5-[2-(3,4-dimethoxybenzoyl)piperazin-1-yl]phenyl]propanoic acid Traditional Name: 3-[2-amino-5-(2-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)C2CNCCN2C3=CC(=C(C=C3)N)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2CNCCN2C3=CC(=C(C=C3)N)CCC(=O)O)OC

InChI

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