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

Systemtic Name: methyl 3-[4-[4-(7-chloranyl-2-oxidanylidene-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[4-(7-chloro-2-oxo-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(7-chloro-2-oxo-1-benzopyran-4-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(7-chloro-2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-[4-(7-chloro-2-keto-chromen-4-yl)piperazino]butyl]-1H-indole-5-carboxylic acid methyl ester Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC(=O)OC5=C4C=CC(=C5)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC(=O)OC5=C4C=CC(=C5)Cl

InChI

InChI=1S/C27H28ClN3O4/c1-34-27(33)18-5-8-23-22(14-18)19(17-29-23)4-2-3-9-30-10-12-31(13-11-30)24-16-26(32)35-25-15-20(28)6-7-21(24)25/h5-8,14-17,29H,2-4,9-13H2,1H3