[1-phenyl-2-[4-[phenyl(propanoyl)amino]azepan-1-yl]ethyl] propanoate

Systemtic Name: [1-phenyl-2-[4-[phenyl(propanoyl)amino]azepan-1-yl]ethyl] propanoate Openeye Name: [1-phenyl-2-[4-(N-propanoylanilino)azepan-1-yl]ethyl] propanoate CAS Name: propanoic acid [2-[4-[N-(1-oxopropyl)anilino]-1-azepanyl]-1-phenylethyl] ester IUPAC Name: [1-phenyl-2-[4-(N-propanoylanilino)azepan-1-yl]ethyl] propanoate Traditional Name: propionic acid [1-phenyl-2-[4-(N-propionylanilino)azepan-1-yl]ethyl] ester Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCCN(CC1)CC(C2=CC=CC=C2)OC(=O)CC)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(C1CCCN(CC1)CC(C2=CC=CC=C2)OC(=O)CC)C3=CC=CC=C3

InChI

InChI=1S/C26H34N2O3/c1-3-25(29)28(22-14-9-6-10-15-22)23-16-11-18-27(19-17-23)20-24(31-26(30)4-2)21-12-7-5-8-13-21/h5-10,12-15,23-24H,3-4,11,16-20H2,1-2H3