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

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(2-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=C3OC)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)O

InChI

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