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

Systemtic Name: 2-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: 2-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 2-adamantyl ester IUPAC Name: 2-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 2-adamantyl ester Formula: C31H42ClN3O4 MolecularWeight: 556.13588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCCC(C(=O)N2CC(=O)OC3C4CC5CC(C4)CC3C5)NC(=O)NC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CCC(CC1)C2CCCC(C(=O)N2CC(=O)OC3C4CC5CC(C4)CC3C5)NC(=O)NC6=CC(=CC=C6)Cl

InChI

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