2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(3-methoxyphenyl)piperazino]-5-propionamido-benzoic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-3-20(25)22-15-7-8-19(18(13-15)21(26)27)24-11-9-23(10-12-24)16-5-4-6-17(14-16)28-2/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,25)(H,26,27)