tert-butyl 3-[(2S)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]-6-chloranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]-6-chloranyl-indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-amino-3-ethoxy-3-oxo-propyl]-6-chloro-indole-1-carboxylate CAS Name: 3-[(2S)-2-amino-3-ethoxy-3-oxopropyl]-6-chloro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-2-amino-3-ethoxy-3-oxopropyl]-6-chloroindole-1-carboxylate Traditional Name: 3-[(2S)-2-amino-3-ethoxy-3-keto-propyl]-6-chloro-indole-1-carboxylic acid tert-butyl ester Formula: C18H23ClN2O4 MolecularWeight: 366.83922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN(C2=C1C=CC(=C2)Cl)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCOC(=O)[C@H](CC1=CN(C2=C1C=CC(=C2)Cl)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C18H23ClN2O4/c1-5-24-16(22)14(20)8-11-10-21(17(23)25-18(2,3)4)15-9-12(19)6-7-13(11)15/h6-7,9-10,14H,5,8,20H2,1-4H3/t14-/m0/s1