[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-benzamidobutanoate

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C23H30N2O5 MolecularWeight: 414.4947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)CC(C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)CC(C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H30N2O5/c1-16(24-23(28)19-9-6-5-7-10-19)13-22(27)30-15-21(26)20-14-17(2)25(18(20)3)11-8-12-29-4/h5-7,9-10,14,16H,8,11-13,15H2,1-4H3,(H,24,28)