methanamine; 4-[5-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-4-oxidanylidene-pentyl]benzoic acid

Systemtic Name: methanamine; 4-[5-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-4-oxidanylidene-pentyl]benzoic acid Openeye Name: methanamine; 4-[5-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-4-oxo-pentyl]benzoic acid CAS Name: methanamine; 4-[5-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-4-oxopentyl]benzoic acid IUPAC Name: methanamine; 4-[5-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-4-oxopentyl]benzoic acid Traditional Name: 4-[4-keto-5-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]pentyl]benzoic acid; methylamine Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)CCCC3=CC=C(C=C3)C(=O)O)OC.CN

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)CCCC3=CC=C(C=C3)C(=O)O)OC.CN

InChI

InChI=1S/C27H28N2O5.CH5N/c1-18-6-3-4-9-23(18)28-27(33)29-24-15-12-20(17-25(24)34-2)16-22(30)8-5-7-19-10-13-21(14-11-19)26(31)32;1-2/h3-4,6,9-15,17H,5,7-8,16H2,1-2H3,(H,31,32)(H2,28,29,33);2H2,1H3