ethyl 3-[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-(7-carbamimidoyl-2-naphthyl)-5-[(1-ethanimidoyl-4-piperidyl)oxy]indolin-1-yl]-3-oxo-propanoate CAS Name: 3-[2-(7-carbamimidoyl-2-naphthalenyl)-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-1-yl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]-3-oxopropanoate Traditional Name: 3-[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-(7-amidino-2-naphthyl)indolin-1-yl]-3-keto-propionic acid ethyl ester Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(CC3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CCOC(=O)CC(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(CC3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C31H35N5O4/c1-3-39-30(38)18-29(37)36-27-9-8-26(40-25-10-12-35(13-11-25)19(2)32)16-24(27)17-28(36)21-6-4-20-5-7-22(31(33)34)15-23(20)14-21/h4-9,14-16,25,28,32H,3,10-13,17-18H2,1-2H3,(H3,33,34)