2-ethyl-3-methyl-2-[(pentanoylamino)methyl]-4-[2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]quinolin-6-yl]butanoic acid

Systemtic Name: 2-ethyl-3-methyl-2-[(pentanoylamino)methyl]-4-[2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]quinolin-6-yl]butanoic acid Openeye Name: 2-ethyl-3-methyl-2-[(pentanoylamino)methyl]-4-[2-[2-(2H-tetrazol-5-yl)phenyl]-6-quinolyl]butanoic acid CAS Name: 2-ethyl-3-methyl-2-[(1-oxopentylamino)methyl]-4-[2-[2-(2H-tetrazol-5-yl)phenyl]-6-quinolinyl]butanoic acid IUPAC Name: 2-ethyl-3-methyl-2-[(pentanoylamino)methyl]-4-[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]butanoic acid Traditional Name: 2-ethyl-3-methyl-4-[2-[2-(2H-tetrazol-5-yl)phenyl]-6-quinolyl]-2-[(valerylamino)methyl]butyric acid Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC(CC)(C(C)CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O

Isomeric SMILES

CCCCC(=O)NCC(CC)(C(C)CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O

InChI

InChI=1S/C29H34N6O3/c1-4-6-11-26(36)30-18-29(5-2,28(37)38)19(3)16-20-12-14-24-21(17-20)13-15-25(31-24)22-9-7-8-10-23(22)27-32-34-35-33-27/h7-10,12-15,17,19H,4-6,11,16,18H2,1-3H3,(H,30,36)(H,37,38)(H,32,33,34,35)