methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(benzyloxycarbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-(phenylmethoxycarbonylamino)phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(benzyloxycarbonylamino)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O5/c1-36-27(35)32-15-13-31(14-16-32)24-12-7-20(25(33)29-22-10-8-21(28)9-11-22)17-23(24)30-26(34)37-18-19-5-3-2-4-6-19/h2-7,12,17,21-22H,8-11,13-16,18,28H2,1H3,(H,29,33)(H,30,34)