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

Systemtic Name: 2-adamantyl 2-[7-cyclohexyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: 2-adamantyl 2-[7-cyclohexyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-azepan-1-yl]acetate CAS Name: 2-[7-cyclohexyl-3-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxo-1-azepanyl]acetic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2-[7-cyclohexyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxoazepan-1-yl]acetate Traditional Name: 2-[7-cyclohexyl-2-keto-3-[(3-methoxyphenyl)carbamoylamino]azepan-1-yl]acetic acid 2-adamantyl ester Formula: C32H45N3O5 MolecularWeight: 551.7168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)OC3C4CC5CC(C4)CC3C5)C6CCCCC6

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)OC3C4CC5CC(C4)CC3C5)C6CCCCC6

InChI

InChI=1S/C32H45N3O5/c1-39-26-10-5-9-25(18-26)33-32(38)34-27-11-6-12-28(22-7-3-2-4-8-22)35(31(27)37)19-29(36)40-30-23-14-20-13-21(16-23)17-24(30)15-20/h5,9-10,18,20-24,27-28,30H,2-4,6-8,11-17,19H2,1H3,(H2,33,34,38)