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

Systemtic Name: 1-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: 1-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-oxo-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-chloroanilino)-oxomethyl]amino]-7-cyclohexyl-2-oxo-1-azepanyl]acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-oxoazepan-1-yl]acetate Traditional Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-keto-azepan-1-yl]acetic acid 1-adamantyl ester Formula: C31H42ClN3O4 MolecularWeight: 556.13588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCCC(C(=O)N2CC(=O)OC34CC5CC(C3)CC(C5)C4)NC(=O)NC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CCC(CC1)C2CCCC(C(=O)N2CC(=O)OC34CC5CC(C3)CC(C5)C4)NC(=O)NC6=CC(=CC=C6)Cl

InChI

InChI=1S/C31H42ClN3O4/c32-24-8-4-9-25(15-24)33-30(38)34-26-10-5-11-27(23-6-2-1-3-7-23)35(29(26)37)19-28(36)39-31-16-20-12-21(17-31)14-22(13-20)18-31/h4,8-9,15,20-23,26-27H,1-3,5-7,10-14,16-19H2,(H2,33,34,38)