2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)-6-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-isopropyl-2-[3-(1-naphthyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 2-[3-(1-naphthalenyl)-2,1-benzoxazol-5-yl]-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-isopropyl-2-[3-(1-naphthyl)anthranil-5-yl]cinchoninic acid Formula: C30H22N2O3 MolecularWeight: 458.50728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(ON=C4C=C3)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(ON=C4C=C3)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H22N2O3/c1-17(2)19-10-12-26-23(14-19)24(30(33)34)16-28(31-26)20-11-13-27-25(15-20)29(35-32-27)22-9-5-7-18-6-3-4-8-21(18)22/h3-17H,1-2H3,(H,33,34)