methyl 4-[[5-azanyl-1-[(7-chloranylquinolin-2-yl)methyl]indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-azanyl-1-[(7-chloranylquinolin-2-yl)methyl]indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-amino-1-[(7-chloro-2-quinolyl)methyl]indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-amino-1-[(7-chloro-2-quinolinyl)methyl]-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-1-[(7-chloroquinolin-2-yl)methyl]indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-amino-1-[(7-chloro-2-quinolyl)methyl]indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H24ClN3O3 MolecularWeight: 485.96146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)N)CC4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)N)CC4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C28H24ClN3O3/c1-34-27-12-19(28(33)35-2)4-3-18(27)11-20-15-32(26-10-8-22(30)14-24(20)26)16-23-9-6-17-5-7-21(29)13-25(17)31-23/h3-10,12-15H,11,16,30H2,1-2H3