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

Systemtic Name: 2-[4-[[6-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[(6-amino-1,3-dioxo-benzo[de]isoquinolin-2-yl)methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(6-amino-1,3-dioxo-2-benzo[de]isoquinolinyl)methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[(6-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[(6-amino-1,3-diketo-benzo[de]isoquinolin-2-yl)methyl]piperidino]ethyl ester Formula: C28H29ClN4O5 MolecularWeight: 537.00666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CN3C(=O)C4=C5C(=C(C=C4)N)C=CC=C5C3=O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CN3C(=O)C4=C5C(=C(C=C4)N)C=CC=C5C3=O)Cl)N

InChI

InChI=1S/C28H29ClN4O5/c1-37-24-14-23(31)21(29)13-20(24)28(36)38-12-11-32-9-7-16(8-10-32)15-33-26(34)18-4-2-3-17-22(30)6-5-19(25(17)18)27(33)35/h2-6,13-14,16H,7-12,15,30-31H2,1H3