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

Systemtic Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-6-(2-phenylcyclopropyl)quinoline-4-carboxylic acid Openeye Name: 2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]-6-(2-phenylcyclopropyl)quinoline-4-carboxylic acid CAS Name: 2-[[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-6-(2-phenylcyclopropyl)-4-quinolinecarboxylic acid IUPAC Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-6-(2-phenylcyclopropyl)quinoline-4-carboxylic acid Traditional Name: 2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]-6-(2-phenylcyclopropyl)cinchoninic acid Formula: C30H26N2O6 MolecularWeight: 510.53724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=NC3=C(C=C(C=C3)C4CC4C5=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)C4CC4C5=CC=CC=C5)C(=C2)C(=O)O

InChI

InChI=1S/C30H26N2O6/c1-38-30(37)27(13-17-7-10-20(33)11-8-17)32-28(34)26-16-24(29(35)36)23-14-19(9-12-25(23)31-26)22-15-21(22)18-5-3-2-4-6-18/h2-12,14,16,21-22,27,33H,13,15H2,1H3,(H,32,34)(H,35,36)/t21?,22?,27-/m0/s1