4-[3-cyclopentylpropanoyl-[[4-(5-phenylpent-1-ynyl)phenyl]methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-cyclopentylpropanoyl-[[4-(5-phenylpent-1-ynyl)phenyl]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-cyclopentylpropanoyl-[[4-(5-phenylpent-1-ynyl)phenyl]methyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[(3-cyclopentyl-1-oxopropyl)-[[4-(5-phenylpent-1-ynyl)phenyl]methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[3-cyclopentylpropanoyl-[[4-(5-phenylpent-1-ynyl)phenyl]methyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[3-cyclopentylpropanoyl-[4-(5-phenylpent-1-ynyl)benzyl]amino]-2-hydroxy-benzoic acid Formula: C33H35NO4 MolecularWeight: 509.6353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N(CC2=CC=C(C=C2)C#CCCCC3=CC=CC=C3)C4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N(CC2=CC=C(C=C2)C#CCCCC3=CC=CC=C3)C4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C33H35NO4/c35-31-23-29(20-21-30(31)33(37)38)34(32(36)22-19-26-13-7-8-14-26)24-28-17-15-27(16-18-28)12-6-2-5-11-25-9-3-1-4-10-25/h1,3-4,9-10,15-18,20-21,23,26,35H,2,5,7-8,11,13-14,19,22,24H2,(H,37,38)