3-[4-[4-(7-methyl-2-oxidanylidene-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(7-methyl-2-oxidanylidene-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(7-methyl-2-oxo-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(7-methyl-2-oxo-1-benzopyran-6-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(7-methyl-2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(2-keto-7-methyl-chromen-6-yl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=O)OC2=C1)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(C=C2C=CC(=O)OC2=C1)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C(=O)O

InChI

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