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

Systemtic Name: 1-adamantyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate Openeye Name: 1-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 1-adamantyl ester IUPAC Name: 1-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 1-adamantyl ester Formula: C38H49N3O4 MolecularWeight: 611.81336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)OC34CC5CC(C3)CC(C5)C4)C6CCCCC6)C7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)OC34CC5CC(C3)CC(C5)C4)C6CCCCC6)C7=CC=CC=C7

InChI

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