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

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-5-(1-oxopentylamino)benzoic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)benzoic acid Traditional Name: 2-[4-(3-methoxyphenyl)piperazino]-5-(valerylamino)benzoic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-3-4-8-22(27)24-17-9-10-21(20(15-17)23(28)29)26-13-11-25(12-14-26)18-6-5-7-19(16-18)30-2/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,24,27)(H,28,29)