methyl 4-[[4-[(4-nitro-3-propan-2-yloxy-phenyl)carbonylamino]-3-phenylmethoxy-phenyl]carbonylamino]-3-propoxy-benzoate

Systemtic Name: methyl 4-[[4-[(4-nitro-3-propan-2-yloxy-phenyl)carbonylamino]-3-phenylmethoxy-phenyl]carbonylamino]-3-propoxy-benzoate Openeye Name: methyl 4-[[3-benzyloxy-4-[(3-isopropoxy-4-nitro-benzoyl)amino]benzoyl]amino]-3-propoxy-benzoate CAS Name: 4-[[[4-[[(4-nitro-3-propan-2-yloxyphenyl)-oxomethyl]amino]-3-phenylmethoxyphenyl]-oxomethyl]amino]-3-propoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-nitro-3-propan-2-yloxybenzoyl)amino]-3-phenylmethoxybenzoyl]amino]-3-propoxybenzoate Traditional Name: 4-[[3-benzoxy-4-[(3-isopropoxy-4-nitro-benzoyl)amino]benzoyl]amino]-3-propoxy-benzoic acid methyl ester Formula: C35H35N3O9 MolecularWeight: 641.6671

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC(C)C)OCC4=CC=CC=C4

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC(C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C35H35N3O9/c1-5-17-45-30-20-26(35(41)44-4)12-15-27(30)36-33(39)24-11-14-28(31(18-24)46-21-23-9-7-6-8-10-23)37-34(40)25-13-16-29(38(42)43)32(19-25)47-22(2)3/h6-16,18-20,22H,5,17,21H2,1-4H3,(H,36,39)(H,37,40)