methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-[(4-tert-butylphenyl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-[(4-tert-butylphenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(4-tert-butylbenzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(4-tert-butylbenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(4-tert-butylbenzoyl)amino]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C30H41N5O4 MolecularWeight: 535.67764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)OC

InChI

InChI=1S/C30H41N5O4/c1-30(2,3)22-8-5-20(6-9-22)27(36)33-25-19-21(28(37)32-24-12-10-23(31)11-13-24)7-14-26(25)34-15-17-35(18-16-34)29(38)39-4/h5-9,14,19,23-24H,10-13,15-18,31H2,1-4H3,(H,32,37)(H,33,36)