N-[8-(3-azanylpropylamino)octyl]-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: N-[8-(3-azanylpropylamino)octyl]-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanamide Openeye Name: N-[8-(3-aminopropylamino)octyl]-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanamide CAS Name: N-[8-(3-aminopropylamino)octyl]-3-(4-hydroxyphenyl)-2-[(1-oxo-3-phenylpropyl)amino]propanamide IUPAC Name: N-[8-(3-aminopropylamino)octyl]-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanamide Traditional Name: N-[8-(3-aminopropylamino)octyl]-2-(hydrocinnamoylamino)-3-(4-hydroxyphenyl)propionamide Formula: C29H44N4O3 MolecularWeight: 496.68466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCCCCCCCNCCCN

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCCCCCCCNCCCN

InChI

InChI=1S/C29H44N4O3/c30-19-10-21-31-20-8-3-1-2-4-9-22-32-29(36)27(23-25-13-16-26(34)17-14-25)33-28(35)18-15-24-11-6-5-7-12-24/h5-7,11-14,16-17,27,31,34H,1-4,8-10,15,18-23,30H2,(H,32,36)(H,33,35)