tert-butyl 2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-4-yl]amino]acetate CAS Name: 2-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-4-yl]amino]acetate Traditional Name: 2-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-4-yl]amino]acetic acid tert-butyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2NCC(=O)OC(C)(C)C)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2NCC(=O)OC(C)(C)C)CC(=O)N

InChI

InChI=1S/C25H31N3O3/c1-5-20-18(14-22(26)29)24-19(27-15-23(30)31-25(2,3)4)12-9-13-21(24)28(20)16-17-10-7-6-8-11-17/h6-13,27H,5,14-16H2,1-4H3,(H2,26,29)