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

Systemtic Name: N-butyl-4-carbamimidoyl-benzamide; 2-(3,4-dihydro-2H-chromen-3-yl)ethanoic acid Openeye Name: N-butyl-4-carbamimidoyl-benzamide; 2-chroman-3-ylacetic acid CAS Name: N-butyl-4-carbamimidoylbenzamide; 2-(3,4-dihydro-2H-1-benzopyran-3-yl)acetic acid IUPAC Name: N-butyl-4-carbamimidoylbenzamide; 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid Traditional Name: 4-amidino-N-butyl-benzamide; 2-chroman-3-ylacetic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O.C11H12O3/c1-2-3-8-15-12(16)10-6-4-9(5-7-10)11(13)14;12-11(13)6-8-5-9-3-1-2-4-10(9)14-7-8/h4-7H,2-3,8H2,1H3,(H3,13,14)(H,15,16);1-4,8H,5-7H2,(H,12,13)