methyl 4-[(6-azanyl-5-bromanyl-indol-1-yl)methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(6-azanyl-5-bromanyl-indol-1-yl)methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[(6-amino-5-bromo-indol-1-yl)methyl]-3-methoxy-benzoate CAS Name: 4-[(6-amino-5-bromo-1-indolyl)methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(6-amino-5-bromoindol-1-yl)methyl]-3-methoxybenzoate Traditional Name: 4-[(6-amino-5-bromo-indol-1-yl)methyl]-3-methoxy-benzoic acid methyl ester Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CN2C=CC3=CC(=C(C=C32)N)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CN2C=CC3=CC(=C(C=C32)N)Br

InChI

InChI=1S/C18H17BrN2O3/c1-23-17-8-12(18(22)24-2)3-4-13(17)10-21-6-5-11-7-14(19)15(20)9-16(11)21/h3-9H,10,20H2,1-2H3