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

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(methoxycarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(methoxycarbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-(methoxycarbonylamino)phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(methoxycarbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(carbomethoxyamino)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)OC

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)OC

InChI

InChI=1S/C21H31N5O5/c1-30-20(28)24-17-13-14(19(27)23-16-6-4-15(22)5-7-16)3-8-18(17)25-9-11-26(12-10-25)21(29)31-2/h3,8,13,15-16H,4-7,9-12,22H2,1-2H3,(H,23,27)(H,24,28)