tert-butyl 2-[7-(cyclohexylmethyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-(cyclohexylmethyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-(cyclohexylmethyl)-3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-azepan-1-yl]acetate CAS Name: 2-[7-(cyclohexylmethyl)-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-(cyclohexylmethyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetate Traditional Name: 2-[7-(cyclohexylmethyl)-2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C33H45N3O4 MolecularWeight: 547.7281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)OC(C)(C)C)CC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)OC(C)(C)C)CC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C33H45N3O4/c1-23-12-11-17-27(18-23)34-32(39)35-29-21-26(25-15-9-6-10-16-25)20-28(19-24-13-7-5-8-14-24)36(31(29)38)22-30(37)40-33(2,3)4/h6,9-12,15-18,24,26,28-29H,5,7-8,13-14,19-22H2,1-4H3,(H2,34,35,39)