tert-butyl 3-[(2S)-3-(3-azanylpropylamino)-2-(ethylamino)propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-3-(3-azanylpropylamino)-2-(ethylamino)propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-3-(3-aminopropylamino)-2-(ethylamino)propyl]indole-1-carboxylate CAS Name: 3-[(2S)-3-(3-aminopropylamino)-2-(ethylamino)propyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-3-(3-aminopropylamino)-2-(ethylamino)propyl]indole-1-carboxylate Traditional Name: 3-[(2S)-3-(3-aminopropylamino)-2-(ethylamino)propyl]indole-1-carboxylic acid tert-butyl ester Formula: C21H34N4O2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)CNCCCN

Isomeric SMILES

CCN[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)CNCCCN

InChI

InChI=1S/C21H34N4O2/c1-5-24-17(14-23-12-8-11-22)13-16-15-25(20(26)27-21(2,3)4)19-10-7-6-9-18(16)19/h6-7,9-10,15,17,23-24H,5,8,11-14,22H2,1-4H3/t17-/m0/s1