1-(cyclohexylmethyl)-2-methyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(phenoxymethyl)thiazol-4-yl]pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(phenoxymethyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(phenoxymethyl)thiazol-4-yl]pyrrole-3-carboxylic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)COC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H26N2O3S/c1-16-19(23(26)27)12-21(25(16)13-17-8-4-2-5-9-17)20-15-29-22(24-20)14-28-18-10-6-3-7-11-18/h3,6-7,10-12,15,17H,2,4-5,8-9,13-14H2,1H3,(H,26,27)