methyl (1R,3S)-2-butyl-1-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl (1R,3S)-2-butyl-1-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl (1R,3S)-2-butyl-1-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: (1R,3S)-2-butyl-1-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-2-butyl-1-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: (1R,3S)-2-butyl-1-propyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(CC2=C(C1CCC)NC3=CC=CC=C23)C(=O)OC

Isomeric SMILES

CCCCN1[C@@H](CC2=C([C@H]1CCC)NC3=CC=CC=C23)C(=O)OC

InChI

InChI=1S/C20H28N2O2/c1-4-6-12-22-17(9-5-2)19-15(13-18(22)20(23)24-3)14-10-7-8-11-16(14)21-19/h7-8,10-11,17-18,21H,4-6,9,12-13H2,1-3H3/t17-,18+/m1/s1