methyl 3-[(1-azanylindol-3-yl)methyl]-4-[2-(ethylamino)-2-oxidanylidene-ethyl]-5-methoxy-benzoate

Systemtic Name: methyl 3-[(1-azanylindol-3-yl)methyl]-4-[2-(ethylamino)-2-oxidanylidene-ethyl]-5-methoxy-benzoate Openeye Name: methyl 3-[(1-aminoindol-3-yl)methyl]-4-[2-(ethylamino)-2-oxo-ethyl]-5-methoxy-benzoate CAS Name: 3-[(1-amino-3-indolyl)methyl]-4-[2-(ethylamino)-2-oxoethyl]-5-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[(1-aminoindol-3-yl)methyl]-4-[2-(ethylamino)-2-oxoethyl]-5-methoxybenzoate Traditional Name: 3-[(1-aminoindol-3-yl)methyl]-4-[2-(ethylamino)-2-keto-ethyl]-5-methoxy-benzoic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CC1=C(C=C(C=C1OC)C(=O)OC)CC2=CN(C3=CC=CC=C32)N

Isomeric SMILES

CCNC(=O)CC1=C(C=C(C=C1OC)C(=O)OC)CC2=CN(C3=CC=CC=C32)N

InChI

InChI=1S/C22H25N3O4/c1-4-24-21(26)12-18-14(9-15(22(27)29-3)11-20(18)28-2)10-16-13-25(23)19-8-6-5-7-17(16)19/h5-9,11,13H,4,10,12,23H2,1-3H3,(H,24,26)