phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(4-methoxyanilino)-oxomethyl]-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O5/c1-35-21-14-12-20(13-15-21)29-25(33)30-16-5-17-31(26(34)36-22-6-3-2-4-7-22)24(30)23(32)28-19-10-8-18(27)9-11-19/h2-4,6-7,12-15,18-19,24H,5,8-11,16-17,27H2,1H3,(H,28,32)(H,29,33)