3-(3-azanylpropyl)-5-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(3-azanylpropyl)-5-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylic acid Openeye Name: 3-(3-aminopropyl)-5-(benzyloxycarbonylamino)-1H-indole-2-carboxylic acid CAS Name: 3-(3-aminopropyl)-5-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylic acid IUPAC Name: 3-(3-aminopropyl)-5-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylic acid Traditional Name: 3-(3-aminopropyl)-5-(benzyloxycarbonylamino)-1H-indole-2-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC3=C(C=C2)NC(=C3CCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC3=C(C=C2)NC(=C3CCCN)C(=O)O

InChI

InChI=1S/C20H21N3O4/c21-10-4-7-15-16-11-14(8-9-17(16)23-18(15)19(24)25)22-20(26)27-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,23H,4,7,10,12,21H2,(H,22,26)(H,24,25)