(4-nitrophenyl)methyl N-[1-[4-(benzimidazol-1-yl)-3-methyl-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-enyl-carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-[4-(benzimidazol-1-yl)-3-methyl-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-enyl-carbamate Openeye Name: (4-nitrophenyl)methyl N-allyl-N-[1-[4-(benzimidazol-1-yl)-3-methyl-3-phenyl-butyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-(1-benzimidazolyl)-3-methyl-3-phenylbutyl]-4-piperidinyl]-N-prop-2-enylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-[4-(benzimidazol-1-yl)-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate Traditional Name: N-allyl-N-[1-[4-(benzimidazol-1-yl)-3-methyl-3-phenyl-butyl]-4-piperidyl]carbamic acid (4-nitrobenzyl) ester Formula: C34H39N5O4 MolecularWeight: 581.70456

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(CN3C=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(CN3C=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C34H39N5O4/c1-3-20-38(33(40)43-24-27-13-15-30(16-14-27)39(41)42)29-17-21-36(22-18-29)23-19-34(2,28-9-5-4-6-10-28)25-37-26-35-31-11-7-8-12-32(31)37/h3-16,26,29H,1,17-25H2,2H3