indole-1-carboxylic acid; (phenylmethyl) N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: indole-1-carboxylic acid; (phenylmethyl) N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(indoline-1-carbonyl)-2-methyl-propyl]carbamate; indole-1-carboxylic acid CAS Name: N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester; 1-indolecarboxylic acid IUPAC Name: benzyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate; indole-1-carboxylic acid Traditional Name: indole-1-carboxylic acid; N-[(1S)-1-(indoline-1-carbonyl)-2-methyl-propyl]carbamic acid benzyl ester Formula: C30H31N3O5 MolecularWeight: 513.58424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3.C1=CC=C2C(=C1)C=CN2C(=O)O

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3.C1=CC=C2C(=C1)C=CN2C(=O)O

InChI

InChI=1S/C21H24N2O3.C9H7NO2/c1-15(2)19(22-21(25)26-14-16-8-4-3-5-9-16)20(24)23-13-12-17-10-6-7-11-18(17)23;11-9(12)10-6-5-7-3-1-2-4-8(7)10/h3-11,15,19H,12-14H2,1-2H3,(H,22,25);1-6H,(H,11,12)/t19-;/m0./s1