2-adamantyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate

Systemtic Name: 2-adamantyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate Openeye Name: 2-adamantyl 2-[7-cyclohexyl-3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-azepan-1-yl]acetate CAS Name: 2-[7-cyclohexyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-1-azepanyl]acetic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetate Traditional Name: 2-[7-cyclohexyl-2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-azepan-1-yl]acetic acid 2-adamantyl ester Formula: C38H49N3O4 MolecularWeight: 611.81336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)OC3C4CC5CC(C4)CC3C5)C6CCCCC6)C7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)OC3C4CC5CC(C4)CC3C5)C6CCCCC6)C7=CC=CC=C7

InChI

InChI=1S/C38H49N3O4/c1-24-9-8-14-32(15-24)39-38(44)40-33-21-29(27-10-4-2-5-11-27)22-34(28-12-6-3-7-13-28)41(37(33)43)23-35(42)45-36-30-17-25-16-26(19-30)20-31(36)18-25/h2,4-5,8-11,14-15,25-26,28-31,33-34,36H,3,6-7,12-13,16-23H2,1H3,(H2,39,40,44)