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

Systemtic Name: methyl 3-[4-[4-(2-oxidanylidenechromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[4-(2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(2-oxo-1-benzopyran-6-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-[4-(2-ketochromen-6-yl)piperazino]butyl]-1H-indole-5-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)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OC(=O)C=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OC(=O)C=C5

InChI

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