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

Systemtic Name: tert-butyl 2-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-7-(phenylmethyl)azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-benzyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenyl-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxo-5-phenyl-7-(phenylmethyl)-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-benzyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetate Traditional Name: 2-[7-benzyl-2-keto-3-[(3-methoxyphenyl)carbamoylamino]-5-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C33H39N3O5 MolecularWeight: 557.67986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C33H39N3O5/c1-33(2,3)41-30(37)22-36-27(18-23-12-7-5-8-13-23)19-25(24-14-9-6-10-15-24)20-29(31(36)38)35-32(39)34-26-16-11-17-28(21-26)40-4/h5-17,21,25,27,29H,18-20,22H2,1-4H3,(H2,34,35,39)