methyl 7-[(E)-2-(6-carbamimidoylnaphthalen-2-yl)ethenyl]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 7-[(E)-2-(6-carbamimidoylnaphthalen-2-yl)ethenyl]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 7-[(E)-2-(6-carbamimidoyl-2-naphthyl)vinyl]-1-isopropyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[(E)-2-(6-carbamimidoyl-2-naphthalenyl)ethenyl]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[(E)-2-(6-carbamimidoylnaphthalen-2-yl)ethenyl]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[(E)-2-(6-amidino-2-naphthyl)vinyl]-1-isopropyl-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:

CC(C)C1C2=C(CCN1C(=O)OC)C=CC(=C2)C=CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

CC(C)C1C2=C(CCN1C(=O)OC)C=CC(=C2)/C=C/C3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C27H29N3O2/c1-17(2)25-24-15-19(6-8-20(24)12-13-30(25)27(31)32-3)5-4-18-7-9-22-16-23(26(28)29)11-10-21(22)14-18/h4-11,14-17,25H,12-13H2,1-3H3,(H3,28,29)/b5-4+