methyl (2R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]propionic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CC2=CNC3=CC=CC=C32)C(=O)OC)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CN[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C1=O)CO

InChI

InChI=1S/C20H21N3O4/c1-12-19(25)16(14(11-24)9-21-12)10-23-18(20(26)27-2)7-13-8-22-17-6-4-3-5-15(13)17/h3-6,8-10,18,22-24H,7,11H2,1-2H3/t18-/m1/s1