ethyl 3-[4-[[3-(aminomethyl)phenyl]methylcarbamoyl]-6-iodanyl-quinolin-2-yl]-5-bromanyl-indole-1-carboxylate

Systemtic Name: ethyl 3-[4-[[3-(aminomethyl)phenyl]methylcarbamoyl]-6-iodanyl-quinolin-2-yl]-5-bromanyl-indole-1-carboxylate Openeye Name: ethyl 3-[4-[[3-(aminomethyl)phenyl]methylcarbamoyl]-6-iodo-2-quinolyl]-5-bromo-indole-1-carboxylate CAS Name: 3-[4-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-6-iodo-2-quinolinyl]-5-bromo-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[[3-(aminomethyl)phenyl]methylcarbamoyl]-6-iodoquinolin-2-yl]-5-bromoindole-1-carboxylate Traditional Name: 3-[4-[[3-(aminomethyl)benzyl]carbamoyl]-6-iodo-2-quinolyl]-5-bromo-indole-1-carboxylic acid ethyl ester Formula: C29H24BrIN4O3 MolecularWeight: 683.33433

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

CCOC(=O)N1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C29H24BrIN4O3/c1-2-38-29(37)35-16-24(22-11-19(30)6-9-27(22)35)26-13-23(21-12-20(31)7-8-25(21)34-26)28(36)33-15-18-5-3-4-17(10-18)14-32/h3-13,16H,2,14-15,32H2,1H3,(H,33,36)