3-(1,3-benzodioxol-5-yl)-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]carbonylpiperidin-4-yl]pentanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]carbonylpiperidin-4-yl]pentanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]-4-piperidyl]pentanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[1-[oxo-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-4-piperidinyl]pentanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]-4-piperidyl]valeric acid Formula: C28H34N4O5 MolecularWeight: 506.59336

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)CCC(CC(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CNC(=NC1)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)CCC(CC(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H34N4O5/c33-26(34)17-21(20-7-8-24-25(16-20)37-18-36-24)6-5-19-9-13-32(14-10-19)27(35)22-3-1-4-23(15-22)31-28-29-11-2-12-30-28/h1,3-4,7-8,15-16,19,21H,2,5-6,9-14,17-18H2,(H,33,34)(H2,29,30,31)