4-[3-chloranyl-2-(cyclopropylcarbamoylamino)phenoxy]-7-phenylmethoxy-quinoline-6-carboxylic acid

Systemtic Name: 4-[3-chloranyl-2-(cyclopropylcarbamoylamino)phenoxy]-7-phenylmethoxy-quinoline-6-carboxylic acid Openeye Name: 7-benzyloxy-4-[3-chloro-2-(cyclopropylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid CAS Name: 4-[3-chloro-2-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-7-phenylmethoxy-6-quinolinecarboxylic acid IUPAC Name: 4-[3-chloro-2-(cyclopropylcarbamoylamino)phenoxy]-7-phenylmethoxyquinoline-6-carboxylic acid Traditional Name: 7-benzoxy-4-[3-chloro-2-(cyclopropylcarbamoylamino)phenoxy]quinoline-6-carboxylic acid Formula: C27H22ClN3O5 MolecularWeight: 503.93368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=C(C=CC=C2Cl)OC3=C4C=C(C(=CC4=NC=C3)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC1NC(=O)NC2=C(C=CC=C2Cl)OC3=C4C=C(C(=CC4=NC=C3)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H22ClN3O5/c28-20-7-4-8-23(25(20)31-27(34)30-17-9-10-17)36-22-11-12-29-21-14-24(19(26(32)33)13-18(21)22)35-15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H,32,33)(H2,30,31,34)