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

Systemtic Name: tert-butyl 2-[7-cyclohexyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3CCCCC3

InChI

InChI=1S/C26H39N3O5/c1-26(2,3)34-23(30)17-29-22(18-10-6-5-7-11-18)15-9-14-21(24(29)31)28-25(32)27-19-12-8-13-20(16-19)33-4/h8,12-13,16,18,21-22H,5-7,9-11,14-15,17H2,1-4H3,(H2,27,28,32)