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

Systemtic Name: tert-butyl 2-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-7-phenyl-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxo-7-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-7-phenylazepan-1-yl]acetate Traditional Name: 2-[2-keto-3-[(3-methoxyphenyl)carbamoylamino]-7-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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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)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O5/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/h5-8,10-13,16,21-22H,9,14-15,17H2,1-4H3,(H2,27,28,32)