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

Systemtic Name: 6-(1-benzofuran-2-yl)-2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]quinoline-4-carboxylic acid Openeye Name: 6-(benzofuran-2-yl)-2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]quinoline-4-carboxylic acid CAS Name: 6-(2-benzofuranyl)-2-[[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(1-benzofuran-2-yl)-2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]quinoline-4-carboxylic acid Traditional Name: 6-(benzofuran-2-yl)-2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]cinchoninic acid Formula: C29H22N2O7 MolecularWeight: 510.49418

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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)C4=CC5=CC=CC=C5O4)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=CC5=CC=CC=C5O4)C(=C2)C(=O)O

InChI

InChI=1S/C29H22N2O7/c1-37-29(36)24(12-16-6-9-19(32)10-7-16)31-27(33)23-15-21(28(34)35)20-13-18(8-11-22(20)30-23)26-14-17-4-2-3-5-25(17)38-26/h2-11,13-15,24,32H,12H2,1H3,(H,31,33)(H,34,35)/t24-/m0/s1