3-[4-[4-(7-methyl-2-oxidanylidene-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(7-methyl-2-oxidanylidene-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(7-methyl-2-oxo-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(7-methyl-2-oxo-1-benzopyran-4-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(7-methyl-2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(2-keto-7-methyl-chromen-4-yl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C(=O)O

InChI

InChI=1S/C27H29N3O4/c1-18-5-7-21-24(16-26(31)34-25(21)14-18)30-12-10-29(11-13-30)9-3-2-4-20-17-28-23-8-6-19(27(32)33)15-22(20)23/h5-8,14-17,28H,2-4,9-13H2,1H3,(H,32,33)