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

Systemtic Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(3-methylphenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-(m-tolylcarbamoylamino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[4-(1-cyclohexenyl)phenyl]-[[(3-methylanilino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(3-methylphenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-(cyclohexen-1-yl)phenyl]-(m-tolylcarbamoylamino)methyl]benzoyl]amino]propionic acid Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C2=CC=C(C=C2)C3=CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(C2=CC=C(C=C2)C3=CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O

InChI

InChI=1S/C31H33N3O4/c1-21-6-5-9-27(20-21)33-31(38)34-29(24-12-10-23(11-13-24)22-7-3-2-4-8-22)25-14-16-26(17-15-25)30(37)32-19-18-28(35)36/h5-7,9-17,20,29H,2-4,8,18-19H2,1H3,(H,32,37)(H,35,36)(H2,33,34,38)