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

Systemtic Name: 1-adamantyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: 1-adamantyl 2-[7-cyclohexyl-3-(m-tolylcarbamoylamino)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[7-cyclohexyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-1-azepanyl]acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxoazepan-1-yl]acetate Traditional Name: 2-[7-cyclohexyl-2-keto-3-(m-tolylcarbamoylamino)azepan-1-yl]acetic acid 1-adamantyl ester Formula: C32H45N3O4 MolecularWeight: 535.7174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)OC34CC5CC(C3)CC(C5)C4)C6CCCCC6

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)OC34CC5CC(C3)CC(C5)C4)C6CCCCC6

InChI

InChI=1S/C32H45N3O4/c1-21-7-5-10-26(13-21)33-31(38)34-27-11-6-12-28(25-8-3-2-4-9-25)35(30(27)37)20-29(36)39-32-17-22-14-23(18-32)16-24(15-22)19-32/h5,7,10,13,22-25,27-28H,2-4,6,8-9,11-12,14-20H2,1H3,(H2,33,34,38)