4-carbamimidoyl-N-methyl-benzamide; 2-(3,4-dihydro-2H-chromen-3-yl)ethanoic acid

Systemtic Name: 4-carbamimidoyl-N-methyl-benzamide; 2-(3,4-dihydro-2H-chromen-3-yl)ethanoic acid Openeye Name: 4-carbamimidoyl-N-methyl-benzamide; 2-chroman-3-ylacetic acid CAS Name: 4-carbamimidoyl-N-methylbenzamide; 2-(3,4-dihydro-2H-1-benzopyran-3-yl)acetic acid IUPAC Name: 4-carbamimidoyl-N-methylbenzamide; 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid Traditional Name: 4-amidino-N-methyl-benzamide; 2-chroman-3-ylacetic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C(=N)N.C1C(COC2=CC=CC=C21)CC(=O)O

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C(=N)N.C1C(COC2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C11H12O3.C9H11N3O/c12-11(13)6-8-5-9-3-1-2-4-10(9)14-7-8;1-12-9(13)7-4-2-6(3-5-7)8(10)11/h1-4,8H,5-7H2,(H,12,13);2-5H,1H3,(H3,10,11)(H,12,13)