2-[4-[4-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[4-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[4-[6-(dimethylamino)-1,3-dioxo-benzo[de]isoquinolin-2-yl]butyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[4-[6-(dimethylamino)-1,3-dioxo-2-benzo[de]isoquinolinyl]butyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[4-[6-(dimethylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]butyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[4-[6-(dimethylamino)-1,3-diketo-benzo[de]isoquinolin-2-yl]butyl]piperidino]ethyl ester Formula: C33H39ClN4O5 MolecularWeight: 607.13956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCCC4CCN(CC4)CCOC(=O)C5=CC(=C(C=C5OC)N)Cl

Isomeric SMILES

CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCCC4CCN(CC4)CCOC(=O)C5=CC(=C(C=C5OC)N)Cl

InChI

InChI=1S/C33H39ClN4O5/c1-36(2)28-11-10-24-30-22(28)8-6-9-23(30)31(39)38(32(24)40)14-5-4-7-21-12-15-37(16-13-21)17-18-43-33(41)25-19-26(34)27(35)20-29(25)42-3/h6,8-11,19-21H,4-5,7,12-18,35H2,1-3H3