(2S)-2-azanyl-3-phenyl-propanamide; (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylic acid

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanamide; (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylic acid Openeye Name: (2S)-2-amino-3-phenyl-propanamide; (3R)-1-oxoisochromane-3-carboxylic acid CAS Name: (2S)-2-amino-3-phenylpropanamide; (3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: (2S)-2-amino-3-phenylpropanamide; (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylic acid Traditional Name: (2S)-2-amino-3-phenyl-propionamide; (3R)-1-ketoisochroman-3-carboxylic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)O.C1=CC=C(C=C1)CC(C(=O)N)N

Isomeric SMILES

C1[C@@H](OC(=O)C2=CC=CC=C21)C(=O)O.C1=CC=C(C=C1)C[C@@H](C(=O)N)N

InChI

InChI=1S/C10H8O4.C9H12N2O/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-4,8H,5H2,(H,11,12);1-5,8H,6,10H2,(H2,11,12)/t2*8-/m10/s1