tert-butyl 3-(dipentylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Systemtic Name: tert-butyl 3-(dipentylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl 3-(dipentylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CAS Name: 3-[(dipentylamino)-oxomethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(dipentylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Traditional Name: 3-(diamylcarbamoyl)-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)NC3=CC=CC=C23

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)NC3=CC=CC=C23

InChI

InChI=1S/C27H41N3O3/c1-6-8-12-16-29(17-13-9-7-2)25(31)24-18-21-20-14-10-11-15-22(20)28-23(21)19-30(24)26(32)33-27(3,4)5/h10-11,14-15,24,28H,6-9,12-13,16-19H2,1-5H3