1-(4-heptoxyphenyl)-3-[(2S)-1-oxidanylidene-3-phenyl-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)propan-2-yl]urea

Systemtic Name: 1-(4-heptoxyphenyl)-3-[(2S)-1-oxidanylidene-3-phenyl-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)propan-2-yl]urea Openeye Name: 1-[(1S)-1-benzyl-2-oxo-2-[4-(piperidine-1-carbonyl)-1-piperidyl]ethyl]-3-(4-heptoxyphenyl)urea CAS Name: 1-(4-heptoxyphenyl)-3-[(2S)-1-oxo-1-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]-3-phenylpropan-2-yl]urea IUPAC Name: 1-(4-heptoxyphenyl)-3-[(2S)-1-oxo-3-phenyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]urea Traditional Name: 1-[(1S)-1-benzyl-2-keto-2-[4-(piperidine-1-carbonyl)piperidino]ethyl]-3-(4-heptoxyphenyl)urea Formula: C34H48N4O4 MolecularWeight: 576.76932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C34H48N4O4/c1-2-3-4-5-12-25-42-30-17-15-29(16-18-30)35-34(41)36-31(26-27-13-8-6-9-14-27)33(40)38-23-19-28(20-24-38)32(39)37-21-10-7-11-22-37/h6,8-9,13-18,28,31H,2-5,7,10-12,19-26H2,1H3,(H2,35,36,41)/t31-/m0/s1