N-[1-[2-[[3-(aminomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-11-phenoxy-undecanamide

Systemtic Name: N-[1-[2-[[3-(aminomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-11-phenoxy-undecanamide Openeye Name: N-[1-[2-[3-(aminomethyl)anilino]-2-oxo-ethyl]-2-oxo-azepan-3-yl]-11-phenoxy-undecanamide CAS Name: N-[1-[2-[3-(aminomethyl)anilino]-2-oxoethyl]-2-oxo-3-azepanyl]-11-phenoxyundecanamide IUPAC Name: N-[1-[2-[3-(aminomethyl)anilino]-2-oxoethyl]-2-oxoazepan-3-yl]-11-phenoxyundecanamide Traditional Name: N-[1-[2-[3-(aminomethyl)anilino]-2-keto-ethyl]-2-keto-azepan-3-yl]-11-phenoxy-undecanamide Formula: C32H46N4O4 MolecularWeight: 550.73204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)CCCCCCCCCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)CN

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)CCCCCCCCCCOC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)CN

InChI

InChI=1S/C32H46N4O4/c33-24-26-15-14-16-27(23-26)34-31(38)25-36-21-12-11-19-29(32(36)39)35-30(37)20-10-5-3-1-2-4-6-13-22-40-28-17-8-7-9-18-28/h7-9,14-18,23,29H,1-6,10-13,19-22,24-25,33H2,(H,34,38)(H,35,37)