2-cyclohexyl-2-[ethanoyl-(4-methylphenyl)amino]-3-[(furan-2-ylcarbonylamino)methyl]-3-piperidin-1-yl-pentanoic acid

Systemtic Name: 2-cyclohexyl-2-[ethanoyl-(4-methylphenyl)amino]-3-[(furan-2-ylcarbonylamino)methyl]-3-piperidin-1-yl-pentanoic acid Openeye Name: 2-(N-acetyl-4-methyl-anilino)-2-cyclohexyl-3-[(furan-2-carbonylamino)methyl]-3-(1-piperidyl)pentanoic acid CAS Name: 2-(N-acetyl-4-methylanilino)-2-cyclohexyl-3-[[[2-furanyl(oxo)methyl]amino]methyl]-3-(1-piperidinyl)pentanoic acid IUPAC Name: 2-(N-acetyl-4-methylanilino)-2-cyclohexyl-3-[(furan-2-carbonylamino)methyl]-3-piperidin-1-ylpentanoic acid Traditional Name: 2-(N-acetyl-4-methyl-anilino)-2-cyclohexyl-3-[(2-furoylamino)methyl]-3-piperidino-valeric acid Formula: C31H43N3O5 MolecularWeight: 537.69022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=CO1)(C(C2CCCCC2)(C(=O)O)N(C3=CC=C(C=C3)C)C(=O)C)N4CCCCC4

Isomeric SMILES

CCC(CNC(=O)C1=CC=CO1)(C(C2CCCCC2)(C(=O)O)N(C3=CC=C(C=C3)C)C(=O)C)N4CCCCC4

InChI

InChI=1S/C31H43N3O5/c1-4-30(33-19-9-6-10-20-33,22-32-28(36)27-14-11-21-39-27)31(29(37)38,25-12-7-5-8-13-25)34(24(3)35)26-17-15-23(2)16-18-26/h11,14-18,21,25H,4-10,12-13,19-20,22H2,1-3H3,(H,32,36)(H,37,38)