1-(4-ethynylphenyl)-4-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-ethynylphenyl)-4-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrrole-3-carboxylic acid Openeye Name: 1-(4-ethynylphenyl)-4-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrrole-3-carboxylic acid CAS Name: 1-(4-ethynylphenyl)-4-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-ethynylphenyl)-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrrole-3-carboxylic acid Traditional Name: 1-(4-ethynylphenyl)-4-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrrole-3-carboxylic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=CN(C=C2C(=O)O)C3=CC=C(C=C3)C#C)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=CN(C=C2C(=O)O)C3=CC=C(C=C3)C#C)C(C)C

InChI

InChI=1S/C24H28N2O3/c1-5-18-8-12-20(13-9-18)25-14-21(24(28)29)22(15-25)26(16(2)3)23(27)19-10-6-17(4)7-11-19/h1,8-9,12-17,19H,6-7,10-11H2,2-4H3,(H,28,29)