2-[3-[tert-butylcarbamoyl-(3-ethylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-ethylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-ethyl-anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-ethylanilino)-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-ethylanilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-ethyl-anilino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C2CC(CC(N(C2=O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(C)(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)N(C2CC(CC(N(C2=O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(C)(C)C

InChI

InChI=1S/C33H39N3O4/c1-5-23-13-12-18-27(19-23)36(32(40)34-33(2,3)4)29-21-26(24-14-8-6-9-15-24)20-28(25-16-10-7-11-17-25)35(31(29)39)22-30(37)38/h6-19,26,28-29H,5,20-22H2,1-4H3,(H,34,40)(H,37,38)