butan-1-amine; N-(3-ethoxyphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide

Systemtic Name: butan-1-amine; N-(3-ethoxyphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide Openeye Name: butan-1-amine; N-(3-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide CAS Name: 1-butanamine; N-(3-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide IUPAC Name: butan-1-amine; N-(3-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide Traditional Name: butylamine; 4-keto-N-m-phenetyl-1,5,6,7-tetrahydroindole-3-carboxamide Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CCOC1=CC=CC(=C1)NC(=O)C2=CNC3=C2C(=O)CCC3

Isomeric SMILES

CCCCN.CCOC1=CC=CC(=C1)NC(=O)C2=CNC3=C2C(=O)CCC3

InChI

InChI=1S/C17H18N2O3.C4H11N/c1-2-22-12-6-3-5-11(9-12)19-17(21)13-10-18-14-7-4-8-15(20)16(13)14;1-2-3-4-5/h3,5-6,9-10,18H,2,4,7-8H2,1H3,(H,19,21);2-5H2,1H3