4-[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]butanoic acid

Systemtic Name: 4-[2-[(4-methyl-2-naphthalen-1-yl-pentanoyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]butanoic acid Openeye Name: 4-[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(pyrazol-1-ylmethyl)phenyl]butanoic acid CAS Name: 4-[2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]-4-(1-pyrazolylmethyl)phenyl]butanoic acid IUPAC Name: 4-[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]butanoic acid Traditional Name: 4-[2-[[4-methyl-2-(1-naphthyl)pentanoyl]amino]-4-(pyrazol-1-ylmethyl)phenyl]butyric acid Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CN4C=CC=N4)CCCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CN4C=CC=N4)CCCC(=O)O

InChI

InChI=1S/C30H33N3O3/c1-21(2)18-27(26-12-5-9-23-8-3-4-11-25(23)26)30(36)32-28-19-22(20-33-17-7-16-31-33)14-15-24(28)10-6-13-29(34)35/h3-5,7-9,11-12,14-17,19,21,27H,6,10,13,18,20H2,1-2H3,(H,32,36)(H,34,35)