phenyl N-[(2S)-1-(2-chloroethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: phenyl N-[(2S)-1-(2-chloroethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: phenyl N-[(1S)-2-(2-chloroethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(2-chloroethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[(2S)-1-(2-chloroethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(2-chloroethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid phenyl ester Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCCl

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCCl

InChI

InChI=1S/C20H20ClN3O3/c21-10-11-22-19(25)18(24-20(26)27-15-6-2-1-3-7-15)12-14-13-23-17-9-5-4-8-16(14)17/h1-9,13,18,23H,10-12H2,(H,22,25)(H,24,26)/t18-/m0/s1