3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-nitro-phenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-nitro-phenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-nitro-phenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[4-(1-cyclohexenyl)phenyl]-[[(4-methyl-3-nitroanilino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-nitrophenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(4-methyl-3-nitro-phenyl)carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C31H32N4O6 MolecularWeight: 556.60898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(C2=CC=C(C=C2)C3=CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(C2=CC=C(C=C2)C3=CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C31H32N4O6/c1-20-7-16-26(19-27(20)35(40)41)33-31(39)34-29(23-10-8-22(9-11-23)21-5-3-2-4-6-21)24-12-14-25(15-13-24)30(38)32-18-17-28(36)37/h5,7-16,19,29H,2-4,6,17-18H2,1H3,(H,32,38)(H,36,37)(H2,33,34,39)