4-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]benzoic acid CAS Name: 4-[oxo-[4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]benzoic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H24N4O3/c1-14(2)22-17-4-3-9-21-18(17)23-10-12-24(13-11-23)19(25)15-5-7-16(8-6-15)20(26)27/h3-9,14,22H,10-13H2,1-2H3,(H,26,27)