methyl 6-[(1R)-2-(6-carbamimidoylnaphthalen-2-yl)cyclopropyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 6-[(1R)-2-(6-carbamimidoylnaphthalen-2-yl)cyclopropyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 6-[(1R)-2-(6-carbamimidoyl-2-naphthyl)cyclopropyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[(1R)-2-(6-carbamimidoyl-2-naphthalenyl)cyclopropyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(1R)-2-(6-carbamimidoylnaphthalen-2-yl)cyclopropyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[(1R)-2-(6-amidino-2-naphthyl)cyclopropyl]-4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C1C=C(C=C2)C3CC3C4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C(=O)OC

Isomeric SMILES

CCC1CN(CC2=C1C=C(C=C2)[C@@H]3CC3C4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C(=O)OC

InChI

InChI=1S/C27H29N3O2/c1-3-16-14-30(27(31)32-2)15-22-9-7-20(12-23(16)22)25-13-24(25)19-6-4-18-11-21(26(28)29)8-5-17(18)10-19/h4-12,16,24-25H,3,13-15H2,1-2H3,(H3,28,29)/t16?,24?,25-/m0/s1