5-chloranyl-2-methoxy-4-[[(2-methyl-6-piperidin-1-yl-phenyl)-phenyl-methyl]carbamoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-[[(2-methyl-6-piperidin-1-yl-phenyl)-phenyl-methyl]carbamoylamino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[[[2-methyl-6-(1-piperidyl)phenyl]-phenyl-methyl]carbamoylamino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[[[[2-methyl-6-(1-piperidinyl)phenyl]-phenylmethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[[(2-methyl-6-piperidin-1-ylphenyl)-phenylmethyl]carbamoylamino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[[(2-methyl-6-piperidino-phenyl)-phenyl-methyl]carbamoylamino]benzoic acid Formula: C28H30ClN3O4 MolecularWeight: 508.0085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=CC=C3)NC(=O)NC4=C(C=C(C(=C4)OC)C(=O)O)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=CC=C3)NC(=O)NC4=C(C=C(C(=C4)OC)C(=O)O)Cl

InChI

InChI=1S/C28H30ClN3O4/c1-18-10-9-13-23(32-14-7-4-8-15-32)25(18)26(19-11-5-3-6-12-19)31-28(35)30-22-17-24(36-2)20(27(33)34)16-21(22)29/h3,5-6,9-13,16-17,26H,4,7-8,14-15H2,1-2H3,(H,33,34)(H2,30,31,35)