7-[ethanoyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-quinolin-3-yl-heptanoic acid

Systemtic Name: 7-[ethanoyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-quinolin-3-yl-heptanoic acid Openeye Name: 7-[acetyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-(3-quinolyl)heptanoic acid CAS Name: 7-[acetyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-(3-quinolinyl)heptanoic acid IUPAC Name: 7-[acetyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-quinolin-3-ylheptanoic acid Traditional Name: 7-[acetyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)amino]-3-(3-quinolyl)enanthic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCCC(CC(=O)O)C1=CC2=CC=CC=C2N=C1)CC3=NC4=C(CCCN4)C=C3

Isomeric SMILES

CC(=O)N(CCCCC(CC(=O)O)C1=CC2=CC=CC=C2N=C1)CC3=NC4=C(CCCN4)C=C3

InChI

InChI=1S/C27H32N4O3/c1-19(32)31(18-24-12-11-20-9-6-13-28-27(20)30-24)14-5-4-7-21(16-26(33)34)23-15-22-8-2-3-10-25(22)29-17-23/h2-3,8,10-12,15,17,21H,4-7,9,13-14,16,18H2,1H3,(H,28,30)(H,33,34)