1-[[[6-(2-cyanophenyl)naphthalen-2-yl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[[6-(2-cyanophenyl)naphthalen-2-yl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[[[6-(2-cyanophenyl)-2-naphthyl]methyl-pentanoyl-amino]methyl]cyclopentanecarboxylic acid CAS Name: 1-[[[6-(2-cyanophenyl)-2-naphthalenyl]methyl-(1-oxopentyl)amino]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[[6-(2-cyanophenyl)naphthalen-2-yl]methyl-pentanoylamino]methyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[[[6-(2-cyanophenyl)-2-naphthyl]methyl-valeryl-amino]methyl]cyclopentanecarboxylic acid Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3C#N)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3C#N)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C30H32N2O3/c1-2-3-10-28(33)32(21-30(29(34)35)15-6-7-16-30)20-22-11-12-24-18-25(14-13-23(24)17-22)27-9-5-4-8-26(27)19-31/h4-5,8-9,11-14,17-18H,2-3,6-7,10,15-16,20-21H2,1H3,(H,34,35)