(phenylmethyl) N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]carbamate Openeye Name: benzyl N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chloro-phenyl]carbamate CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]carbamate Traditional Name: N-[3-[[(2-aminocyclohexyl)-p-anisoyl-amino]methyl]-4-chloro-phenyl]carbamic acid benzyl ester Formula: C29H32ClN3O4 MolecularWeight: 522.03508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)Cl)C4CCCCC4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)Cl)C4CCCCC4N

InChI

InChI=1S/C29H32ClN3O4/c1-36-24-14-11-21(12-15-24)28(34)33(27-10-6-5-9-26(27)31)18-22-17-23(13-16-25(22)30)32-29(35)37-19-20-7-3-2-4-8-20/h2-4,7-8,11-17,26-27H,5-6,9-10,18-19,31H2,1H3,(H,32,35)