methyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: methyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]chroman-3-yl]acetate CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]chroman-3-yl]acetic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)OC1

Isomeric SMILES

COC(=O)CC1CC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)OC1

InChI

InChI=1S/C20H21N3O4/c1-26-18(24)9-12-8-15-10-14(4-7-17(15)27-11-12)20(25)23-16-5-2-13(3-6-16)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,23,25)