methyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate

Systemtic Name: methyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate Openeye Name: methyl 3-(7-carbamimidoyl-2-naphthyl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoate Traditional Name: 3-(7-amidino-2-naphthyl)-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCNC4

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCNC4

InChI

InChI=1S/C25H27N3O3/c1-30-25(29)23(18-6-8-21(9-7-18)31-22-10-11-28-15-22)13-16-2-3-17-4-5-19(24(26)27)14-20(17)12-16/h2-9,12,14,22-23,28H,10-11,13,15H2,1H3,(H3,26,27)