ethyl (2R)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoate

Systemtic Name: ethyl (2R)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoate Openeye Name: ethyl (2R)-3-(7-carbamimidoyl-2-naphthyl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoate CAS Name: (2R)-3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoate Traditional Name: (2R)-2-[4-[(3S)-1-acetimidoylpyrrolidin-3-yl]oxyphenyl]-3-(7-amidino-2-naphthyl)propionic acid ethyl ester Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCN(C4)C(=N)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)O[C@H]4CCN(C4)C(=N)C

InChI

InChI=1S/C28H32N4O3/c1-3-34-28(33)26(15-19-4-5-20-6-7-22(27(30)31)16-23(20)14-19)21-8-10-24(11-9-21)35-25-12-13-32(17-25)18(2)29/h4-11,14,16,25-26,29H,3,12-13,15,17H2,1-2H3,(H3,30,31)/t25-,26+/m0/s1