4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]propoxy]-3-nitro-benzoate

Systemtic Name: 4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]propoxy]-3-nitro-benzoate Openeye Name: 4-[2-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]propoxy]-3-nitro-benzoate CAS Name: 4-[2-[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]propoxy]-3-nitrobenzoate IUPAC Name: 4-[2-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]propoxy]-3-nitrobenzoate Traditional Name: 4-[2-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]propoxy]-3-nitro-benzoate Formula: C27H27N4O8- MolecularWeight: 535.52528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NC(C)COC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NC(C)COC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C27H28N4O8/c1-16-6-4-5-7-20(16)29-27(35)30-21-10-8-18(12-24(21)38-3)13-25(32)28-17(2)15-39-23-11-9-19(26(33)34)14-22(23)31(36)37/h4-12,14,17H,13,15H2,1-3H3,(H,28,32)(H,33,34)(H2,29,30,35)/p-1