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

Systemtic Name: methyl 4-[(5-azanyl-1-prop-2-ynyl-indol-3-yl)methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[(5-amino-1-prop-2-ynyl-indol-3-yl)methyl]-3-methoxy-benzoate CAS Name: 4-[(5-amino-1-prop-2-ynyl-3-indolyl)methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1-prop-2-ynylindol-3-yl)methyl]-3-methoxybenzoate Traditional Name: 4-[(5-amino-1-propargyl-indol-3-yl)methyl]-3-methoxy-benzoic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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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)CC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)N)CC#C

InChI

InChI=1S/C21H20N2O3/c1-4-9-23-13-16(18-12-17(22)7-8-19(18)23)10-14-5-6-15(21(24)26-3)11-20(14)25-2/h1,5-8,11-13H,9-10,22H2,2-3H3