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

Systemtic Name: 4-carbamimidoyl-N-propyl-benzamide; 2-(3,4-dihydro-2H-chromen-3-yl)ethanoic acid Openeye Name: 4-carbamimidoyl-N-propyl-benzamide; 2-chroman-3-ylacetic acid CAS Name: 4-carbamimidoyl-N-propylbenzamide; 2-(3,4-dihydro-2H-1-benzopyran-3-yl)acetic acid IUPAC Name: 4-carbamimidoyl-N-propylbenzamide; 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid Traditional Name: 4-amidino-N-propyl-benzamide; 2-chroman-3-ylacetic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O.C11H12O3/c1-2-7-14-11(15)9-5-3-8(4-6-9)10(12)13;12-11(13)6-8-5-9-3-1-2-4-10(9)14-7-8/h3-6H,2,7H2,1H3,(H3,12,13)(H,14,15);1-4,8H,5-7H2,(H,12,13)