N-[4-(3-oxidanylpropoxy)phenyl]-1H-indole-2-carboxamide; N-(phenylmethyl)propan-2-amine

Systemtic Name: N-[4-(3-oxidanylpropoxy)phenyl]-1H-indole-2-carboxamide; N-(phenylmethyl)propan-2-amine Openeye Name: N-benzylpropan-2-amine; N-[4-(3-hydroxypropoxy)phenyl]-1H-indole-2-carboxamide CAS Name: N-[4-(3-hydroxypropoxy)phenyl]-1H-indole-2-carboxamide; N-(phenylmethyl)-2-propanamine IUPAC Name: N-benzylpropan-2-amine; N-[4-(3-hydroxypropoxy)phenyl]-1H-indole-2-carboxamide Traditional Name: benzyl(isopropyl)amine; N-[4-(3-hydroxypropoxy)phenyl]-1H-indole-2-carboxamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC=CC=C1.C1=CC=C2C(=C1)C=C(N2)C(=O)NC3=CC=C(C=C3)OCCCO

Isomeric SMILES

CC(C)NCC1=CC=CC=C1.C1=CC=C2C(=C1)C=C(N2)C(=O)NC3=CC=C(C=C3)OCCCO

InChI

InChI=1S/C18H18N2O3.C10H15N/c21-10-3-11-23-15-8-6-14(7-9-15)19-18(22)17-12-13-4-1-2-5-16(13)20-17;1-9(2)11-8-10-6-4-3-5-7-10/h1-2,4-9,12,20-21H,3,10-11H2,(H,19,22);3-7,9,11H,8H2,1-2H3