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

Systemtic Name: tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-7-(phenylmethyl)azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-benzyl-3-(m-tolylcarbamoylamino)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-7-(phenylmethyl)-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-benzyl-3-[(3-methylphenyl)carbamoylamino]-2-oxoazepan-1-yl]acetate Traditional Name: 2-[7-benzyl-2-keto-3-(m-tolylcarbamoylamino)azepan-1-yl]acetic acid tert-butyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O4/c1-19-10-8-13-21(16-19)28-26(33)29-23-15-9-14-22(17-20-11-6-5-7-12-20)30(25(23)32)18-24(31)34-27(2,3)4/h5-8,10-13,16,22-23H,9,14-15,17-18H2,1-4H3,(H2,28,29,33)