[2-[(phenylmethyl)-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethylamino] butanoate

Systemtic Name: [2-[(phenylmethyl)-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethylamino] butanoate Openeye Name: [2-[benzyl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethylamino] butanoate CAS Name: butanoic acid [2-[(phenylmethyl)-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethylamino] ester IUPAC Name: [2-[benzyl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethylamino] butanoate Traditional Name: butyric acid [2-[benzyl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethylamino] ester Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ONCCN(CCCC1=CNC2=C1C=C(C=C2)N3C=NN=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)ONCCN(CCCC1=CNC2=C1C=C(C=C2)N3C=NN=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N6O2/c1-2-7-26(33)34-30-13-15-31(18-21-8-4-3-5-9-21)14-6-10-22-17-27-25-12-11-23(16-24(22)25)32-19-28-29-20-32/h3-5,8-9,11-12,16-17,19-20,27,30H,2,6-7,10,13-15,18H2,1H3