2-[3-methanoyl-1-methyl-9-(phenylmethyl)-4aH-pyrido[3,4-b]indol-2-yl]ethyl (2R)-2-azanyl-3-phenyl-propanoate

Systemtic Name: 2-[3-methanoyl-1-methyl-9-(phenylmethyl)-4aH-pyrido[3,4-b]indol-2-yl]ethyl (2R)-2-azanyl-3-phenyl-propanoate Openeye Name: 2-(9-benzyl-3-formyl-1-methyl-4aH-pyrido[3,4-b]indol-2-yl)ethyl (2R)-2-amino-3-phenyl-propanoate CAS Name: (2R)-2-amino-3-phenylpropanoic acid 2-[3-formyl-1-methyl-9-(phenylmethyl)-4aH-pyrido[3,4-b]indol-2-yl]ethyl ester IUPAC Name: 2-(9-benzyl-3-formyl-1-methyl-4aH-pyrido[3,4-b]indol-2-yl)ethyl (2R)-2-amino-3-phenylpropanoate Traditional Name: (2R)-2-amino-3-phenyl-propionic acid 2-(9-benzyl-3-formyl-1-methyl-4aH-$b-carbolin-2-yl)ethyl ester Formula: C31H31N3O3 MolecularWeight: 493.59614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C=C(N1CCOC(=O)C(CC3=CC=CC=C3)N)C=O)C4=CC=CC=C4N2CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(C=C(N1CCOC(=O)[C@@H](CC3=CC=CC=C3)N)C=O)C4=CC=CC=C4N2CC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3/c1-22-30-27(26-14-8-9-15-29(26)34(30)20-24-12-6-3-7-13-24)19-25(21-35)33(22)16-17-37-31(36)28(32)18-23-10-4-2-5-11-23/h2-15,19,21,27-28H,16-18,20,32H2,1H3/t27?,28-/m1/s1