3-(cyclopropylcarbonylamino)-4-[4-[5-methyl-1-(triphenylmethyl)imidazol-4-yl]piperidin-1-yl]benzoic acid

Systemtic Name: 3-(cyclopropylcarbonylamino)-4-[4-[5-methyl-1-(triphenylmethyl)imidazol-4-yl]piperidin-1-yl]benzoic acid Openeye Name: 3-(cyclopropanecarbonylamino)-4-[4-(5-methyl-1-trityl-imidazol-4-yl)-1-piperidyl]benzoic acid CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-4-[4-[5-methyl-1-(triphenylmethyl)-4-imidazolyl]-1-piperidinyl]benzoic acid IUPAC Name: 3-(cyclopropanecarbonylamino)-4-[4-(5-methyl-1-tritylimidazol-4-yl)piperidin-1-yl]benzoic acid Traditional Name: 3-(cyclopropanecarbonylamino)-4-[4-(5-methyl-1-trityl-imidazol-4-yl)piperidino]benzoic acid Formula: C39H38N4O3 MolecularWeight: 610.74402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5CCN(CC5)C6=C(C=C(C=C6)C(=O)O)NC(=O)C7CC7

Isomeric SMILES

CC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5CCN(CC5)C6=C(C=C(C=C6)C(=O)O)NC(=O)C7CC7

InChI

InChI=1S/C39H38N4O3/c1-27-36(28-21-23-42(24-22-28)35-20-19-30(38(45)46)25-34(35)41-37(44)29-17-18-29)40-26-43(27)39(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-16,19-20,25-26,28-29H,17-18,21-24H2,1H3,(H,41,44)(H,45,46)