2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-6-(3-phenylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-6-(3-phenylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]-6-(3-phenylphenyl)quinoline-4-carboxylic acid CAS Name: 2-[[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-6-(3-phenylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-6-(3-phenylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]-6-(3-phenylphenyl)cinchoninic acid Formula: C33H26N2O6 MolecularWeight: 546.56934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=NC3=C(C=C(C=C3)C4=CC=CC(=C4)C5=CC=CC=C5)C(=C2)C(=O)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=NC3=C(C=C(C=C3)C4=CC=CC(=C4)C5=CC=CC=C5)C(=C2)C(=O)O

InChI

InChI=1S/C33H26N2O6/c1-41-33(40)30(16-20-10-13-25(36)14-11-20)35-31(37)29-19-27(32(38)39)26-18-24(12-15-28(26)34-29)23-9-5-8-22(17-23)21-6-3-2-4-7-21/h2-15,17-19,30,36H,16H2,1H3,(H,35,37)(H,38,39)/t30-/m0/s1