methyl 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-(4-chroman-6-ylpiperazin-1-yl)butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-(4-chroman-6-ylpiperazino)butyl]-1H-indole-5-carboxylic acid methyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCCC5

InChI

InChI=1S/C27H33N3O3/c1-32-27(31)21-7-9-25-24(18-21)22(19-28-25)5-2-3-11-29-12-14-30(15-13-29)23-8-10-26-20(17-23)6-4-16-33-26/h7-10,17-19,28H,2-6,11-16H2,1H3