methyl 3-(5-chloranyl-2-methyl-1-propyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 3-(5-chloranyl-2-methyl-1-propyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(5-chloro-2-methyl-1-propyl-indol-3-yl)butanoate CAS Name: 3-(5-chloro-2-methyl-1-propyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 3-(5-chloro-2-methyl-1-propylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-chloro-2-methyl-1-propyl-indol-3-yl)butyric acid methyl ester Formula: C25H29ClN2O4 MolecularWeight: 456.96176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C25H29ClN2O4/c1-5-13-28-17(3)22(20-14-19(26)11-12-21(20)28)16(2)23(24(29)31-4)27-25(30)32-15-18-9-7-6-8-10-18/h6-12,14,16,23H,5,13,15H2,1-4H3,(H,27,30)