ethyl 6-bromanyl-1-butyl-5-methoxy-2-[(naphthalen-1-ylamino)methyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-butyl-5-methoxy-2-[(naphthalen-1-ylamino)methyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-butyl-5-methoxy-2-[(1-naphthylamino)methyl]indole-3-carboxylate CAS Name: 6-bromo-1-butyl-5-methoxy-2-[(1-naphthalenylamino)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-butyl-5-methoxy-2-[(naphthalen-1-ylamino)methyl]indole-3-carboxylate Traditional Name: 6-bromo-1-butyl-5-methoxy-2-[(1-naphthylamino)methyl]indole-3-carboxylic acid ethyl ester Formula: C27H29BrN2O3 MolecularWeight: 509.43476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C(=C1CNC3=CC=CC4=CC=CC=C43)C(=O)OCC)OC)Br

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C(=C1CNC3=CC=CC4=CC=CC=C43)C(=O)OCC)OC)Br

InChI

InChI=1S/C27H29BrN2O3/c1-4-6-14-30-23-16-21(28)25(32-3)15-20(23)26(27(31)33-5-2)24(30)17-29-22-13-9-11-18-10-7-8-12-19(18)22/h7-13,15-16,29H,4-6,14,17H2,1-3H3