methyl 3-[1-[4-(diphenylmethyl)piperazin-1-yl]propylcarbamoylamino]-3-methyl-butanoate

Systemtic Name: methyl 3-[1-[4-(diphenylmethyl)piperazin-1-yl]propylcarbamoylamino]-3-methyl-butanoate Openeye Name: methyl 3-[1-(4-benzhydrylpiperazin-1-yl)propylcarbamoylamino]-3-methyl-butanoate CAS Name: 3-[[[1-[4-(diphenylmethyl)-1-piperazinyl]propylamino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-benzhydrylpiperazin-1-yl)propylcarbamoylamino]-3-methylbutanoate Traditional Name: 3-[1-(4-benzhydrylpiperazino)propylcarbamoylamino]-3-methyl-butyric acid methyl ester Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)NC(C)(C)CC(=O)OC)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(NC(=O)NC(C)(C)CC(=O)OC)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H38N4O3/c1-5-23(28-26(33)29-27(2,3)20-24(32)34-4)30-16-18-31(19-17-30)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,23,25H,5,16-20H2,1-4H3,(H2,28,29,33)