[1-(2-azanylethanoyl)-4-phenoxy-4-phenyl-pyrrolidin-2-yl]carbonyl 1-azanylisoquinoline-7-carboxylate

Systemtic Name: [1-(2-azanylethanoyl)-4-phenoxy-4-phenyl-pyrrolidin-2-yl]carbonyl 1-azanylisoquinoline-7-carboxylate Openeye Name: [1-(2-aminoacetyl)-4-phenoxy-4-phenyl-pyrrolidine-2-carbonyl] 1-aminoisoquinoline-7-carboxylate CAS Name: 1-amino-7-isoquinolinecarboxylic acid [[1-(2-amino-1-oxoethyl)-4-phenoxy-4-phenyl-2-pyrrolidinyl]-oxomethyl] ester IUPAC Name: [1-(2-aminoacetyl)-4-phenoxy-4-phenylpyrrolidine-2-carbonyl] 1-aminoisoquinoline-7-carboxylate Traditional Name: 1-aminoisoquinoline-7-carboxylic acid (1-glycyl-4-phenoxy-4-phenyl-prolyl) ester Formula: C29H26N4O5 MolecularWeight: 510.54054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1(C2=CC=CC=C2)OC3=CC=CC=C3)C(=O)CN)C(=O)OC(=O)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1C(N(CC1(C2=CC=CC=C2)OC3=CC=CC=C3)C(=O)CN)C(=O)OC(=O)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C29H26N4O5/c30-17-25(34)33-18-29(21-7-3-1-4-8-21,38-22-9-5-2-6-10-22)16-24(33)28(36)37-27(35)20-12-11-19-13-14-32-26(31)23(19)15-20/h1-15,24H,16-18,30H2,(H2,31,32)