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

Systemtic Name: tert-butyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-23(2,3)30-20(27)11-14-10-17-12-16(6-9-19(17)29-13-14)22(28)26-18-7-4-15(5-8-18)21(24)25/h4-9,12,14H,10-11,13H2,1-3H3,(H3,24,25)(H,26,28)