methyl 3-[4-[4-(2-oxidanylidenechromen-4-yl)piperazin-1-yl]butyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[4-[4-(2-oxidanylidenechromen-4-yl)piperazin-1-yl]butyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[4-[4-(2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-6-carboxylate CAS Name: 3-[4-[4-(2-oxo-1-benzopyran-4-yl)-1-piperazinyl]butyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-6-carboxylate Traditional Name: 3-[4-[4-(2-ketochromen-4-yl)piperazino]butyl]-1H-indole-6-carboxylic acid methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CCCCN3CCN(CC3)C4=CC(=O)OC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CCCCN3CCN(CC3)C4=CC(=O)OC5=CC=CC=C54

InChI

InChI=1S/C27H29N3O4/c1-33-27(32)19-9-10-21-20(18-28-23(21)16-19)6-4-5-11-29-12-14-30(15-13-29)24-17-26(31)34-25-8-3-2-7-22(24)25/h2-3,7-10,16-18,28H,4-6,11-15H2,1H3