4-oxidanylidene-2-phenyl-3-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propoxy]chromene-6-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-phenyl-3-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propoxy]chromene-6-carboxylic acid Openeye Name: 4-oxo-2-phenyl-3-[3-[4-(2-quinolylmethyl)piperazin-1-yl]propoxy]chromene-6-carboxylic acid CAS Name: 4-oxo-2-phenyl-3-[3-[4-(2-quinolinylmethyl)-1-piperazinyl]propoxy]-1-benzopyran-6-carboxylic acid IUPAC Name: 4-oxo-2-phenyl-3-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propoxy]chromene-6-carboxylic acid Traditional Name: 4-keto-2-phenyl-3-[3-[4-(2-quinolylmethyl)piperazino]propoxy]chromene-6-carboxylic acid Formula: C33H31N3O5 MolecularWeight: 549.61634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=C(OC3=C(C2=O)C=C(C=C3)C(=O)O)C4=CC=CC=C4)CC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN1CCCOC2=C(OC3=C(C2=O)C=C(C=C3)C(=O)O)C4=CC=CC=C4)CC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C33H31N3O5/c37-30-27-21-25(33(38)39)12-14-29(27)41-31(24-8-2-1-3-9-24)32(30)40-20-6-15-35-16-18-36(19-17-35)22-26-13-11-23-7-4-5-10-28(23)34-26/h1-5,7-14,21H,6,15-20,22H2,(H,38,39)