methyl 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[5-(4-piperidylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[5-[oxo-(4-piperidinylamino)methyl]-1-indolyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[5-(piperidin-4-ylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-[5-(4-piperidylcarbamoyl)indol-1-yl]butyl]-1H-indole-5-carboxylic acid methyl ester Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3C=CC4=C3C=CC(=C4)C(=O)NC5CCNCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3C=CC4=C3C=CC(=C4)C(=O)NC5CCNCC5

InChI

InChI=1S/C28H32N4O3/c1-35-28(34)21-5-7-25-24(17-21)22(18-30-25)4-2-3-14-32-15-11-19-16-20(6-8-26(19)32)27(33)31-23-9-12-29-13-10-23/h5-8,11,15-18,23,29-30H,2-4,9-10,12-14H2,1H3,(H,31,33)