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

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methoxybenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methoxybenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-m-anisoyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O5/c1-35-23-10-5-9-20(17-23)26(33)30-15-6-16-31(27(34)36-18-19-7-3-2-4-8-19)25(30)24(32)29-22-13-11-21(28)12-14-22/h2-5,7-10,17,21-22,25H,6,11-16,18,28H2,1H3,(H,29,32)