4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid Openeye Name: 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid CAS Name: 4-cyclohexyl-1-[2-[[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid Traditional Name: 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]isonipecotic acid Formula: C28H39N5O5 MolecularWeight: 525.63976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N2CCC(CC2)(C3CCCCC3)C(=O)O)NC(=O)NCCC4=CN=CN4

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)N2CCC(CC2)(C3CCCCC3)C(=O)O)NC(=O)NCCC4=CN=CN4

InChI

InChI=1S/C28H39N5O5/c1-38-23-9-7-20(8-10-23)17-24(32-27(37)30-14-11-22-18-29-19-31-22)25(34)33-15-12-28(13-16-33,26(35)36)21-5-3-2-4-6-21/h7-10,18-19,21,24H,2-6,11-17H2,1H3,(H,29,31)(H,35,36)(H2,30,32,37)